N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;N,1-dimethyl-N-propan-2-ylpyrrolidin-3-amine;N-methyl-N-propan-2-ylcyclohexanamine;N-methyl-N-propan-2-yloxolan-3-amine;N-methyl-N-propan-2-ylpiperidin-4-amine;N-methyl-N-propan-2-ylpyrrolidin-3-amine

C54H118N10O — CID 158342520

IUPACN,1-dimethyl-N-propan-2-ylpiperidin-4-amine;N,1-dimethyl-N-propan-2-ylpyrrolidin-3-amine;N-methyl-N-propan-2-ylcyclohexanamine;N-methyl-N-propan-2-yloxolan-3-amine;N-methyl-N-propan-2-ylpiperidin-4-amine;N-methyl-N-propan-2-ylpyrrolidin-3-amine
SMILESCC(C)N(C)C1CCCCC1.CC(C)N(C)C1CCN(C)C1.CC(C)N(C)C1CCN(C)CC1.CC(C)N(C)C1CCNC1.CC(C)N(C)C1CCNCC1.CC(C)N(C)C1CCOC1
InChIInChI=1S/C10H22N2.C10H21N.2C9H20N2.C8H18N2.C8H17NO/c1-9(2)12(4)10-5-7-11(3)8-6-10;1-9(2)11(3)10-7-5-4-6-8-10;1-8(2)11(4)9-5-6-10(3)7-9;1-8(2)11(3)9-4-6-10-7-5-9;1-7(2)10(3)8-4-5-9-6-8;1-7(2)9(3)8-4-5-10-6-8/h9-10H,5-8H2,1-4H3;9-10H,4-8H2,1-3H3;8-9H,5-7H2,1-4H3;8-10H,4-7H2,1-3H3;7-9H,4-6H2,1-3H3;7-8H,4-6H2,1-3H3
InChIKeyGRIGWKSJGGILAZ-UHFFFAOYSA-N
MW923.61 g/mol
LogP7.99
Rot. Bonds12

About N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;N,1-dimethyl-N-propan-2-ylpyrrolidin-3-amine;N-methyl-N-propan-2-ylcyclohexanamine;N-methyl-N-propan-2-yloxolan-3-amine;N-methyl-N-propan-2-ylpiperidin-4-amine;N-methyl-N-propan-2-ylpyrrolidin-3-amine

N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;N,1-dimethyl-N-propan-2-ylpyrrolidin-3-amine;N-methyl-N-propan-2-ylcyclohexanamine;N-methyl-N-propan-2-yloxolan-3-amine;N-methyl-N-propan-2-ylpiperidin-4-amine;N-methyl-N-propan-2-ylpyrrolidin-3-amine (PubChem CID 158342520) has the molecular formula C54H118N10O and a molecular weight of 923.61 g/mol. Its IUPAC name is N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;N,1-dimethyl-N-propan-2-ylpyrrolidin-3-amine;N-methyl-N-propan-2-ylcyclohexanamine;N-methyl-N-propan-2-yloxolan-3-amine;N-methyl-N-propan-2-ylpiperidin-4-amine;N-methyl-N-propan-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound NameN,1-dimethyl-N-propan-2-ylpiperidin-4-amine;N,1-dimethyl-N-propan-2-ylpyrrolidin-3-amine;N-methyl-N-propan-2-ylcyclohexanamine;N-methyl-N-propan-2-yloxolan-3-amine;N-methyl-N-propan-2-ylpiperidin-4-amine;N-methyl-N-propan-2-ylpyrrolidin-3-amine
PubChem CID158342520
Molecular FormulaC54H118N10O
Molecular Weight923.61 g/mol
Exact Mass922.95
IUPAC NameN,1-dimethyl-N-propan-2-ylpiperidin-4-amine;N,1-dimethyl-N-propan-2-ylpyrrolidin-3-amine;N-methyl-N-propan-2-ylcyclohexanamine;N-methyl-N-propan-2-yloxolan-3-amine;N-methyl-N-propan-2-ylpiperidin-4-amine;N-methyl-N-propan-2-ylpyrrolidin-3-amine
SMILESCC(C)N(C)C1CCCCC1.CC(C)N(C)C1CCN(C)C1.CC(C)N(C)C1CCN(C)CC1.CC(C)N(C)C1CCNC1.CC(C)N(C)C1CCNCC1.CC(C)N(C)C1CCOC1
InChIInChI=1S/C10H22N2.C10H21N.2C9H20N2.C8H18N2.C8H17NO/c1-9(2)12(4)10-5-7-11(3)8-6-10;1-9(2)11(3)10-7-5-4-6-8-10;1-8(2)11(4)9-5-6-10(3)7-9;1-8(2)11(3)9-4-6-10-7-5-9;1-7(2)10(3)8-4-5-9-6-8;1-7(2)9(3)8-4-5-10-6-8/h9-10H,5-8H2,1-4H3;9-10H,4-8H2,1-3H3;8-9H,5-7H2,1-4H3;8-10H,4-7H2,1-3H3;7-9H,4-6H2,1-3H3;7-8H,4-6H2,1-3H3
InChIKeyGRIGWKSJGGILAZ-UHFFFAOYSA-N
XLogP7.99
TPSA59.21 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500923.61
LogP ≤ 57.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;N,1-dimethyl-N-propan-2-ylpyrrolidin-3-amine;N-methyl-N-propan-2-ylcyclohexanamine;N-methyl-N-propan-2-yloxolan-3-amine;N-methyl-N-propan-2-ylpiperidin-4-amine;N-methyl-N-propan-2-ylpyrrolidin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;N,1-dimethyl-N-propan-2-ylpyrrolidin-3-amine;N-methyl-N-propan-2-ylcyclohexanamine;N-methyl-N-propan-2-yloxolan-3-amine;N-methyl-N-propan-2-ylpiperidin-4-amine;N-methyl-N-propan-2-ylpyrrolidin-3-amine?
The IUPAC name of N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;N,1-dimethyl-N-propan-2-ylpyrrolidin-3-amine;N-methyl-N-propan-2-ylcyclohexanamine;N-methyl-N-propan-2-yloxolan-3-amine;N-methyl-N-propan-2-ylpiperidin-4-amine;N-methyl-N-propan-2-ylpyrrolidin-3-amine (CID 158342520) is N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;N,1-dimethyl-N-propan-2-ylpyrrolidin-3-amine;N-methyl-N-propan-2-ylcyclohexanamine;N-methyl-N-propan-2-yloxolan-3-amine;N-methyl-N-propan-2-ylpiperidin-4-amine;N-methyl-N-propan-2-ylpyrrolidin-3-amine.
What is the SMILES notation for N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;N,1-dimethyl-N-propan-2-ylpyrrolidin-3-amine;N-methyl-N-propan-2-ylcyclohexanamine;N-methyl-N-propan-2-yloxolan-3-amine;N-methyl-N-propan-2-ylpiperidin-4-amine;N-methyl-N-propan-2-ylpyrrolidin-3-amine?
The canonical SMILES for N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;N,1-dimethyl-N-propan-2-ylpyrrolidin-3-amine;N-methyl-N-propan-2-ylcyclohexanamine;N-methyl-N-propan-2-yloxolan-3-amine;N-methyl-N-propan-2-ylpiperidin-4-amine;N-methyl-N-propan-2-ylpyrrolidin-3-amine is CC(C)N(C)C1CCCCC1.CC(C)N(C)C1CCN(C)C1.CC(C)N(C)C1CCN(C)CC1.CC(C)N(C)C1CCNC1.CC(C)N(C)C1CCNCC1.CC(C)N(C)C1CCOC1.
What is the InChIKey of N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;N,1-dimethyl-N-propan-2-ylpyrrolidin-3-amine;N-methyl-N-propan-2-ylcyclohexanamine;N-methyl-N-propan-2-yloxolan-3-amine;N-methyl-N-propan-2-ylpiperidin-4-amine;N-methyl-N-propan-2-ylpyrrolidin-3-amine?
The InChIKey is GRIGWKSJGGILAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2.C10H21N.2C9H20N2.C8H18N2.C8H17NO/c1-9(2)12(4)10-5-7-11(3)8-6-10;1-9(2)11(3)10-7-5-4-6-8-10;1-8(2)11(4)9-5-6-10(3)7-9;1-8(2)11(3)9-4-6-10-7-5-9;1-7(2)10(3)8-4-5-9-6-8;1-7(2)9(3)8-4-5-10-6-8/h9-10H,5-8H2,1-4H3;9-10H,4-8H2,1-3H3;8-9H,5-7H2,1-4H3;8-10H,4-7H2,1-3H3;7-9H,4-6H2,1-3H3;7-8H,4-6H2,1-3H3.
What are the key properties of N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;N,1-dimethyl-N-propan-2-ylpyrrolidin-3-amine;N-methyl-N-propan-2-ylcyclohexanamine;N-methyl-N-propan-2-yloxolan-3-amine;N-methyl-N-propan-2-ylpiperidin-4-amine;N-methyl-N-propan-2-ylpyrrolidin-3-amine?
N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;N,1-dimethyl-N-propan-2-ylpyrrolidin-3-amine;N-methyl-N-propan-2-ylcyclohexanamine;N-methyl-N-propan-2-yloxolan-3-amine;N-methyl-N-propan-2-ylpiperidin-4-amine;N-methyl-N-propan-2-ylpyrrolidin-3-amine has a molecular weight of 923.61 g/mol, XLogP of 7.99, 12 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;N,1-dimethyl-N-propan-2-ylpyrrolidin-3-amine;N-methyl-N-propan-2-ylcyclohexanamine;N-methyl-N-propan-2-yloxolan-3-amine;N-methyl-N-propan-2-ylpiperidin-4-amine;N-methyl-N-propan-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 158342520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).