4-fluoro-1-methylpyrrolidin-3-amine;(4-fluoro-1-methylpyrrolidin-3-yl)methanamine;4-methoxy-1-methylpyrrolidin-3-amine;(4-methoxy-1-methylpyrrolidin-3-yl)methanamine;3-methyl-3-azabicyclo[3.1.0]hexan-1-amine;(3-methyl-3-azabicyclo[3.1.0]hexan-1-yl)methanamine;5-methyl-5-azaspiro[2.4]heptan-7-amine;N-methyl-1-(1-methylpyrrolidin-3-yl)ethanamine;(4-methylmorpholin-2-yl)methanamine;1-(1-methylpiperidin-3-yl)ethanamine;1-methylpyrrolidine;1-(1-methylpyrrolidin-3-yl)cyclopropan-1-amine;2-(1-methylpyrrolidin-3-yl)propan-2-ol;[1-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanamine

C94H201F5N26O4 — CID 158758610

IUPAC4-fluoro-1-methylpyrrolidin-3-amine;(4-fluoro-1-methylpyrrolidin-3-yl)methanamine;4-methoxy-1-methylpyrrolidin-3-amine;(4-methoxy-1-methylpyrrolidin-3-yl)methanamine;3-methyl-3-azabicyclo[3.1.0]hexan-1-amine;(3-methyl-3-azabicyclo[3.1.0]hexan-1-yl)methanamine;5-methyl-5-azaspiro[2.4]heptan-7-amine;N-methyl-1-(1-methylpyrrolidin-3-yl)ethanamine;(4-methylmorpholin-2-yl)methanamine;1-(1-methylpiperidin-3-yl)ethanamine;1-methylpyrrolidine;1-(1-methylpyrrolidin-3-yl)cyclopropan-1-amine;2-(1-methylpyrrolidin-3-yl)propan-2-ol;[1-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanamine
SMILESCC(N)C1CCCN(C)C1.CN1CC(CN)C(C(F)(F)F)C1.CN1CC(F)C(CN)C1.CN1CC(N)C(F)C1.CN1CC(N)C2(CC2)C1.CN1CC2CC2(CN)C1.CN1CC2CC2(N)C1.CN1CCC(C(C)(C)O)C1.CN1CCC(C2(N)CC2)C1.CN1CCCC1.CN1CCOC(CN)C1.CNC(C)C1CCN(C)C1.COC1CN(C)CC1CN.COC1CN(C)CC1N
InChIInChI=1S/C8H16N2.2C8H18N2.C8H17NO.C7H13F3N2.C7H16N2O.2C7H14N2.C6H13FN2.2C6H14N2O.C6H12N2.C5H11FN2.C5H11N/c1-10-5-2-7(6-10)8(9)3-4-8;1-7(9-2)8-4-5-10(3)6-8;1-7(9)8-4-3-5-10(2)6-8;1-8(2,10)7-4-5-9(3)6-7;1-12-3-5(2-11)6(4-12)7(8,9)10;1-9-4-6(3-8)7(5-9)10-2;1-9-3-6-2-7(6,4-8)5-9;1-9-4-6(8)7(5-9)2-3-7;1-9-3-5(2-8)6(7)4-9;1-8-3-5(7)6(4-8)9-2;1-8-2-3-9-6(4-7)5-8;1-8-3-5-2-6(5,7)4-8;1-8-2-4(6)5(7)3-8;1-6-4-2-3-5-6/h7H,2-6,9H2,1H3;7-9H,4-6H2,1-3H3;7-8H,3-6,9H2,1-2H3;7,10H,4-6H2,1-3H3;5-6H,2-4,11H2,1H3;6-7H,3-5,8H2,1-2H3;2*6H,2-5,8H2,1H3;5-6H,2-4,8H2,1H3;5-6H,3-4,7H2,1-2H3;6H,2-5,7H2,1H3;5H,2-4,7H2,1H3;4-5H,2-3,7H2,1H3;2-5H2,1H3
InChIKeyIOJPYSNNDFIOMA-UHFFFAOYSA-N
MW1854.81 g/mol
LogP0.86
Rot. Bonds12

About 4-fluoro-1-methylpyrrolidin-3-amine;(4-fluoro-1-methylpyrrolidin-3-yl)methanamine;4-methoxy-1-methylpyrrolidin-3-amine;(4-methoxy-1-methylpyrrolidin-3-yl)methanamine;3-methyl-3-azabicyclo[3.1.0]hexan-1-amine;(3-methyl-3-azabicyclo[3.1.0]hexan-1-yl)methanamine;5-methyl-5-azaspiro[2.4]heptan-7-amine;N-methyl-1-(1-methylpyrrolidin-3-yl)ethanamine;(4-methylmorpholin-2-yl)methanamine;1-(1-methylpiperidin-3-yl)ethanamine;1-methylpyrrolidine;1-(1-methylpyrrolidin-3-yl)cyclopropan-1-amine;2-(1-methylpyrrolidin-3-yl)propan-2-ol;[1-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanamine

4-fluoro-1-methylpyrrolidin-3-amine;(4-fluoro-1-methylpyrrolidin-3-yl)methanamine;4-methoxy-1-methylpyrrolidin-3-amine;(4-methoxy-1-methylpyrrolidin-3-yl)methanamine;3-methyl-3-azabicyclo[3.1.0]hexan-1-amine;(3-methyl-3-azabicyclo[3.1.0]hexan-1-yl)methanamine;5-methyl-5-azaspiro[2.4]heptan-7-amine;N-methyl-1-(1-methylpyrrolidin-3-yl)ethanamine;(4-methylmorpholin-2-yl)methanamine;1-(1-methylpiperidin-3-yl)ethanamine;1-methylpyrrolidine;1-(1-methylpyrrolidin-3-yl)cyclopropan-1-amine;2-(1-methylpyrrolidin-3-yl)propan-2-ol;[1-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanamine (PubChem CID 158758610) has the molecular formula C94H201F5N26O4 and a molecular weight of 1854.81 g/mol. Its IUPAC name is 4-fluoro-1-methylpyrrolidin-3-amine;(4-fluoro-1-methylpyrrolidin-3-yl)methanamine;4-methoxy-1-methylpyrrolidin-3-amine;(4-methoxy-1-methylpyrrolidin-3-yl)methanamine;3-methyl-3-azabicyclo[3.1.0]hexan-1-amine;(3-methyl-3-azabicyclo[3.1.0]hexan-1-yl)methanamine;5-methyl-5-azaspiro[2.4]heptan-7-amine;N-methyl-1-(1-methylpyrrolidin-3-yl)ethanamine;(4-methylmorpholin-2-yl)methanamine;1-(1-methylpiperidin-3-yl)ethanamine;1-methylpyrrolidine;1-(1-methylpyrrolidin-3-yl)cyclopropan-1-amine;2-(1-methylpyrrolidin-3-yl)propan-2-ol;[1-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name4-fluoro-1-methylpyrrolidin-3-amine;(4-fluoro-1-methylpyrrolidin-3-yl)methanamine;4-methoxy-1-methylpyrrolidin-3-amine;(4-methoxy-1-methylpyrrolidin-3-yl)methanamine;3-methyl-3-azabicyclo[3.1.0]hexan-1-amine;(3-methyl-3-azabicyclo[3.1.0]hexan-1-yl)methanamine;5-methyl-5-azaspiro[2.4]heptan-7-amine;N-methyl-1-(1-methylpyrrolidin-3-yl)ethanamine;(4-methylmorpholin-2-yl)methanamine;1-(1-methylpiperidin-3-yl)ethanamine;1-methylpyrrolidine;1-(1-methylpyrrolidin-3-yl)cyclopropan-1-amine;2-(1-methylpyrrolidin-3-yl)propan-2-ol;[1-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanamine
PubChem CID158758610
Molecular FormulaC94H201F5N26O4
Molecular Weight1854.81 g/mol
Exact Mass1853.62
IUPAC Name4-fluoro-1-methylpyrrolidin-3-amine;(4-fluoro-1-methylpyrrolidin-3-yl)methanamine;4-methoxy-1-methylpyrrolidin-3-amine;(4-methoxy-1-methylpyrrolidin-3-yl)methanamine;3-methyl-3-azabicyclo[3.1.0]hexan-1-amine;(3-methyl-3-azabicyclo[3.1.0]hexan-1-yl)methanamine;5-methyl-5-azaspiro[2.4]heptan-7-amine;N-methyl-1-(1-methylpyrrolidin-3-yl)ethanamine;(4-methylmorpholin-2-yl)methanamine;1-(1-methylpiperidin-3-yl)ethanamine;1-methylpyrrolidine;1-(1-methylpyrrolidin-3-yl)cyclopropan-1-amine;2-(1-methylpyrrolidin-3-yl)propan-2-ol;[1-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanamine
SMILESCC(N)C1CCCN(C)C1.CN1CC(CN)C(C(F)(F)F)C1.CN1CC(F)C(CN)C1.CN1CC(N)C(F)C1.CN1CC(N)C2(CC2)C1.CN1CC2CC2(CN)C1.CN1CC2CC2(N)C1.CN1CCC(C(C)(C)O)C1.CN1CCC(C2(N)CC2)C1.CN1CCCC1.CN1CCOC(CN)C1.CNC(C)C1CCN(C)C1.COC1CN(C)CC1CN.COC1CN(C)CC1N
InChIInChI=1S/C8H16N2.2C8H18N2.C8H17NO.C7H13F3N2.C7H16N2O.2C7H14N2.C6H13FN2.2C6H14N2O.C6H12N2.C5H11FN2.C5H11N/c1-10-5-2-7(6-10)8(9)3-4-8;1-7(9-2)8-4-5-10(3)6-8;1-7(9)8-4-3-5-10(2)6-8;1-8(2,10)7-4-5-9(3)6-7;1-12-3-5(2-11)6(4-12)7(8,9)10;1-9-4-6(3-8)7(5-9)10-2;1-9-3-6-2-7(6,4-8)5-9;1-9-4-6(8)7(5-9)2-3-7;1-9-3-5(2-8)6(7)4-9;1-8-3-5(7)6(4-8)9-2;1-8-2-3-9-6(4-7)5-8;1-8-3-5-2-6(5,7)4-8;1-8-2-4(6)5(7)3-8;1-6-4-2-3-5-6/h7H,2-6,9H2,1H3;7-9H,4-6H2,1-3H3;7-8H,3-6,9H2,1-2H3;7,10H,4-6H2,1-3H3;5-6H,2-4,11H2,1H3;6-7H,3-5,8H2,1-2H3;2*6H,2-5,8H2,1H3;5-6H,2-4,8H2,1H3;5-6H,3-4,7H2,1-2H3;6H,2-5,7H2,1H3;5H,2-4,7H2,1H3;4-5H,2-3,7H2,1H3;2-5H2,1H3
InChIKeyIOJPYSNNDFIOMA-UHFFFAOYSA-N
XLogP0.86
TPSA391.53 Ų
H-Bond Donors13
H-Bond Acceptors30
Rotatable Bonds12
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001854.81
LogP ≤ 50.86
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1030

Analyze 4-fluoro-1-methylpyrrolidin-3-amine;(4-fluoro-1-methylpyrrolidin-3-yl)methanamine;4-methoxy-1-methylpyrrolidin-3-amine;(4-methoxy-1-methylpyrrolidin-3-yl)methanamine;3-methyl-3-azabicyclo[3.1.0]hexan-1-amine;(3-methyl-3-azabicyclo[3.1.0]hexan-1-yl)methanamine;5-methyl-5-azaspiro[2.4]heptan-7-amine;N-methyl-1-(1-methylpyrrolidin-3-yl)ethanamine;(4-methylmorpholin-2-yl)methanamine;1-(1-methylpiperidin-3-yl)ethanamine;1-methylpyrrolidine;1-(1-methylpyrrolidin-3-yl)cyclopropan-1-amine;2-(1-methylpyrrolidin-3-yl)propan-2-ol;[1-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-methylpyrrolidin-3-amine;(4-fluoro-1-methylpyrrolidin-3-yl)methanamine;4-methoxy-1-methylpyrrolidin-3-amine;(4-methoxy-1-methylpyrrolidin-3-yl)methanamine;3-methyl-3-azabicyclo[3.1.0]hexan-1-amine;(3-methyl-3-azabicyclo[3.1.0]hexan-1-yl)methanamine;5-methyl-5-azaspiro[2.4]heptan-7-amine;N-methyl-1-(1-methylpyrrolidin-3-yl)ethanamine;(4-methylmorpholin-2-yl)methanamine;1-(1-methylpiperidin-3-yl)ethanamine;1-methylpyrrolidine;1-(1-methylpyrrolidin-3-yl)cyclopropan-1-amine;2-(1-methylpyrrolidin-3-yl)propan-2-ol;[1-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanamine?
The IUPAC name of 4-fluoro-1-methylpyrrolidin-3-amine;(4-fluoro-1-methylpyrrolidin-3-yl)methanamine;4-methoxy-1-methylpyrrolidin-3-amine;(4-methoxy-1-methylpyrrolidin-3-yl)methanamine;3-methyl-3-azabicyclo[3.1.0]hexan-1-amine;(3-methyl-3-azabicyclo[3.1.0]hexan-1-yl)methanamine;5-methyl-5-azaspiro[2.4]heptan-7-amine;N-methyl-1-(1-methylpyrrolidin-3-yl)ethanamine;(4-methylmorpholin-2-yl)methanamine;1-(1-methylpiperidin-3-yl)ethanamine;1-methylpyrrolidine;1-(1-methylpyrrolidin-3-yl)cyclopropan-1-amine;2-(1-methylpyrrolidin-3-yl)propan-2-ol;[1-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanamine (CID 158758610) is 4-fluoro-1-methylpyrrolidin-3-amine;(4-fluoro-1-methylpyrrolidin-3-yl)methanamine;4-methoxy-1-methylpyrrolidin-3-amine;(4-methoxy-1-methylpyrrolidin-3-yl)methanamine;3-methyl-3-azabicyclo[3.1.0]hexan-1-amine;(3-methyl-3-azabicyclo[3.1.0]hexan-1-yl)methanamine;5-methyl-5-azaspiro[2.4]heptan-7-amine;N-methyl-1-(1-methylpyrrolidin-3-yl)ethanamine;(4-methylmorpholin-2-yl)methanamine;1-(1-methylpiperidin-3-yl)ethanamine;1-methylpyrrolidine;1-(1-methylpyrrolidin-3-yl)cyclopropan-1-amine;2-(1-methylpyrrolidin-3-yl)propan-2-ol;[1-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for 4-fluoro-1-methylpyrrolidin-3-amine;(4-fluoro-1-methylpyrrolidin-3-yl)methanamine;4-methoxy-1-methylpyrrolidin-3-amine;(4-methoxy-1-methylpyrrolidin-3-yl)methanamine;3-methyl-3-azabicyclo[3.1.0]hexan-1-amine;(3-methyl-3-azabicyclo[3.1.0]hexan-1-yl)methanamine;5-methyl-5-azaspiro[2.4]heptan-7-amine;N-methyl-1-(1-methylpyrrolidin-3-yl)ethanamine;(4-methylmorpholin-2-yl)methanamine;1-(1-methylpiperidin-3-yl)ethanamine;1-methylpyrrolidine;1-(1-methylpyrrolidin-3-yl)cyclopropan-1-amine;2-(1-methylpyrrolidin-3-yl)propan-2-ol;[1-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for 4-fluoro-1-methylpyrrolidin-3-amine;(4-fluoro-1-methylpyrrolidin-3-yl)methanamine;4-methoxy-1-methylpyrrolidin-3-amine;(4-methoxy-1-methylpyrrolidin-3-yl)methanamine;3-methyl-3-azabicyclo[3.1.0]hexan-1-amine;(3-methyl-3-azabicyclo[3.1.0]hexan-1-yl)methanamine;5-methyl-5-azaspiro[2.4]heptan-7-amine;N-methyl-1-(1-methylpyrrolidin-3-yl)ethanamine;(4-methylmorpholin-2-yl)methanamine;1-(1-methylpiperidin-3-yl)ethanamine;1-methylpyrrolidine;1-(1-methylpyrrolidin-3-yl)cyclopropan-1-amine;2-(1-methylpyrrolidin-3-yl)propan-2-ol;[1-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanamine is CC(N)C1CCCN(C)C1.CN1CC(CN)C(C(F)(F)F)C1.CN1CC(F)C(CN)C1.CN1CC(N)C(F)C1.CN1CC(N)C2(CC2)C1.CN1CC2CC2(CN)C1.CN1CC2CC2(N)C1.CN1CCC(C(C)(C)O)C1.CN1CCC(C2(N)CC2)C1.CN1CCCC1.CN1CCOC(CN)C1.CNC(C)C1CCN(C)C1.COC1CN(C)CC1CN.COC1CN(C)CC1N.
What is the InChIKey of 4-fluoro-1-methylpyrrolidin-3-amine;(4-fluoro-1-methylpyrrolidin-3-yl)methanamine;4-methoxy-1-methylpyrrolidin-3-amine;(4-methoxy-1-methylpyrrolidin-3-yl)methanamine;3-methyl-3-azabicyclo[3.1.0]hexan-1-amine;(3-methyl-3-azabicyclo[3.1.0]hexan-1-yl)methanamine;5-methyl-5-azaspiro[2.4]heptan-7-amine;N-methyl-1-(1-methylpyrrolidin-3-yl)ethanamine;(4-methylmorpholin-2-yl)methanamine;1-(1-methylpiperidin-3-yl)ethanamine;1-methylpyrrolidine;1-(1-methylpyrrolidin-3-yl)cyclopropan-1-amine;2-(1-methylpyrrolidin-3-yl)propan-2-ol;[1-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanamine?
The InChIKey is IOJPYSNNDFIOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2.2C8H18N2.C8H17NO.C7H13F3N2.C7H16N2O.2C7H14N2.C6H13FN2.2C6H14N2O.C6H12N2.C5H11FN2.C5H11N/c1-10-5-2-7(6-10)8(9)3-4-8;1-7(9-2)8-4-5-10(3)6-8;1-7(9)8-4-3-5-10(2)6-8;1-8(2,10)7-4-5-9(3)6-7;1-12-3-5(2-11)6(4-12)7(8,9)10;1-9-4-6(3-8)7(5-9)10-2;1-9-3-6-2-7(6,4-8)5-9;1-9-4-6(8)7(5-9)2-3-7;1-9-3-5(2-8)6(7)4-9;1-8-3-5(7)6(4-8)9-2;1-8-2-3-9-6(4-7)5-8;1-8-3-5-2-6(5,7)4-8;1-8-2-4(6)5(7)3-8;1-6-4-2-3-5-6/h7H,2-6,9H2,1H3;7-9H,4-6H2,1-3H3;7-8H,3-6,9H2,1-2H3;7,10H,4-6H2,1-3H3;5-6H,2-4,11H2,1H3;6-7H,3-5,8H2,1-2H3;2*6H,2-5,8H2,1H3;5-6H,2-4,8H2,1H3;5-6H,3-4,7H2,1-2H3;6H,2-5,7H2,1H3;5H,2-4,7H2,1H3;4-5H,2-3,7H2,1H3;2-5H2,1H3.
What are the key properties of 4-fluoro-1-methylpyrrolidin-3-amine;(4-fluoro-1-methylpyrrolidin-3-yl)methanamine;4-methoxy-1-methylpyrrolidin-3-amine;(4-methoxy-1-methylpyrrolidin-3-yl)methanamine;3-methyl-3-azabicyclo[3.1.0]hexan-1-amine;(3-methyl-3-azabicyclo[3.1.0]hexan-1-yl)methanamine;5-methyl-5-azaspiro[2.4]heptan-7-amine;N-methyl-1-(1-methylpyrrolidin-3-yl)ethanamine;(4-methylmorpholin-2-yl)methanamine;1-(1-methylpiperidin-3-yl)ethanamine;1-methylpyrrolidine;1-(1-methylpyrrolidin-3-yl)cyclopropan-1-amine;2-(1-methylpyrrolidin-3-yl)propan-2-ol;[1-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanamine?
4-fluoro-1-methylpyrrolidin-3-amine;(4-fluoro-1-methylpyrrolidin-3-yl)methanamine;4-methoxy-1-methylpyrrolidin-3-amine;(4-methoxy-1-methylpyrrolidin-3-yl)methanamine;3-methyl-3-azabicyclo[3.1.0]hexan-1-amine;(3-methyl-3-azabicyclo[3.1.0]hexan-1-yl)methanamine;5-methyl-5-azaspiro[2.4]heptan-7-amine;N-methyl-1-(1-methylpyrrolidin-3-yl)ethanamine;(4-methylmorpholin-2-yl)methanamine;1-(1-methylpiperidin-3-yl)ethanamine;1-methylpyrrolidine;1-(1-methylpyrrolidin-3-yl)cyclopropan-1-amine;2-(1-methylpyrrolidin-3-yl)propan-2-ol;[1-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanamine has a molecular weight of 1854.81 g/mol, XLogP of 0.86, 12 rotatable bonds, 13 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-methylpyrrolidin-3-amine;(4-fluoro-1-methylpyrrolidin-3-yl)methanamine;4-methoxy-1-methylpyrrolidin-3-amine;(4-methoxy-1-methylpyrrolidin-3-yl)methanamine;3-methyl-3-azabicyclo[3.1.0]hexan-1-amine;(3-methyl-3-azabicyclo[3.1.0]hexan-1-yl)methanamine;5-methyl-5-azaspiro[2.4]heptan-7-amine;N-methyl-1-(1-methylpyrrolidin-3-yl)ethanamine;(4-methylmorpholin-2-yl)methanamine;1-(1-methylpiperidin-3-yl)ethanamine;1-methylpyrrolidine;1-(1-methylpyrrolidin-3-yl)cyclopropan-1-amine;2-(1-methylpyrrolidin-3-yl)propan-2-ol;[1-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 158758610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).