N-[(2,4-dimethylfuran-3-yl)methyl]propan-2-amine;N-[2-(3,5-dimethyl-2H-pyrrol-4-yl)ethyl]propan-2-amine;3-methyl-N-propan-2-yl-N-(2-pyridin-2-ylethyl)butan-1-amine;3-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)butan-1-amine;N-(2-pyrazol-1-ylethyl)propan-2-amine;N-(2-pyridin-2-ylethyl)propan-2-amine;N-(pyridin-2-ylmethyl)propan-2-amine

C77H132N14O — CID 157138679

IUPACN-[(2,4-dimethylfuran-3-yl)methyl]propan-2-amine;N-[2-(3,5-dimethyl-2H-pyrrol-4-yl)ethyl]propan-2-amine;3-methyl-N-propan-2-yl-N-(2-pyridin-2-ylethyl)butan-1-amine;3-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)butan-1-amine;N-(2-pyrazol-1-ylethyl)propan-2-amine;N-(2-pyridin-2-ylethyl)propan-2-amine;N-(pyridin-2-ylmethyl)propan-2-amine
SMILESCC(C)CCN(CCc1ccccn1)C(C)C.CC(C)CCN(Cc1ccccn1)C(C)C.CC(C)NCCc1ccccn1.CC(C)NCCn1cccn1.CC(C)NCc1ccccn1.CC1=NCC(C)=C1CCNC(C)C.Cc1coc(C)c1CNC(C)C
InChIInChI=1S/C15H26N2.C14H24N2.C11H20N2.C10H16N2.C10H17NO.C9H14N2.C8H15N3/c1-13(2)8-11-17(14(3)4)12-9-15-7-5-6-10-16-15;1-12(2)8-10-16(13(3)4)11-14-7-5-6-9-15-14;1-8(2)12-6-5-11-9(3)7-13-10(11)4;1-9(2)11-8-6-10-5-3-4-7-12-10;1-7(2)11-5-10-8(3)6-12-9(10)4;1-8(2)11-7-9-5-3-4-6-10-9;1-8(2)9-5-7-11-6-3-4-10-11/h5-7,10,13-14H,8-9,11-12H2,1-4H3;5-7,9,12-13H,8,10-11H2,1-4H3;8,12H,5-7H2,1-4H3;3-5,7,9,11H,6,8H2,1-2H3;6-7,11H,5H2,1-4H3;3-6,8,11H,7H2,1-2H3;3-4,6,8-9H,5,7H2,1-2H3
InChIKeyAJXWCGDSMOZPAZ-UHFFFAOYSA-N
MW1270.00 g/mol
LogP15.36
Rot. Bonds31

About N-[(2,4-dimethylfuran-3-yl)methyl]propan-2-amine;N-[2-(3,5-dimethyl-2H-pyrrol-4-yl)ethyl]propan-2-amine;3-methyl-N-propan-2-yl-N-(2-pyridin-2-ylethyl)butan-1-amine;3-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)butan-1-amine;N-(2-pyrazol-1-ylethyl)propan-2-amine;N-(2-pyridin-2-ylethyl)propan-2-amine;N-(pyridin-2-ylmethyl)propan-2-amine

N-[(2,4-dimethylfuran-3-yl)methyl]propan-2-amine;N-[2-(3,5-dimethyl-2H-pyrrol-4-yl)ethyl]propan-2-amine;3-methyl-N-propan-2-yl-N-(2-pyridin-2-ylethyl)butan-1-amine;3-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)butan-1-amine;N-(2-pyrazol-1-ylethyl)propan-2-amine;N-(2-pyridin-2-ylethyl)propan-2-amine;N-(pyridin-2-ylmethyl)propan-2-amine (PubChem CID 157138679) has the molecular formula C77H132N14O and a molecular weight of 1270.00 g/mol. Its IUPAC name is N-[(2,4-dimethylfuran-3-yl)methyl]propan-2-amine;N-[2-(3,5-dimethyl-2H-pyrrol-4-yl)ethyl]propan-2-amine;3-methyl-N-propan-2-yl-N-(2-pyridin-2-ylethyl)butan-1-amine;3-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)butan-1-amine;N-(2-pyrazol-1-ylethyl)propan-2-amine;N-(2-pyridin-2-ylethyl)propan-2-amine;N-(pyridin-2-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-[(2,4-dimethylfuran-3-yl)methyl]propan-2-amine;N-[2-(3,5-dimethyl-2H-pyrrol-4-yl)ethyl]propan-2-amine;3-methyl-N-propan-2-yl-N-(2-pyridin-2-ylethyl)butan-1-amine;3-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)butan-1-amine;N-(2-pyrazol-1-ylethyl)propan-2-amine;N-(2-pyridin-2-ylethyl)propan-2-amine;N-(pyridin-2-ylmethyl)propan-2-amine
PubChem CID157138679
Molecular FormulaC77H132N14O
Molecular Weight1270.00 g/mol
Exact Mass1269.07
IUPAC NameN-[(2,4-dimethylfuran-3-yl)methyl]propan-2-amine;N-[2-(3,5-dimethyl-2H-pyrrol-4-yl)ethyl]propan-2-amine;3-methyl-N-propan-2-yl-N-(2-pyridin-2-ylethyl)butan-1-amine;3-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)butan-1-amine;N-(2-pyrazol-1-ylethyl)propan-2-amine;N-(2-pyridin-2-ylethyl)propan-2-amine;N-(pyridin-2-ylmethyl)propan-2-amine
SMILESCC(C)CCN(CCc1ccccn1)C(C)C.CC(C)CCN(Cc1ccccn1)C(C)C.CC(C)NCCc1ccccn1.CC(C)NCCn1cccn1.CC(C)NCc1ccccn1.CC1=NCC(C)=C1CCNC(C)C.Cc1coc(C)c1CNC(C)C
InChIInChI=1S/C15H26N2.C14H24N2.C11H20N2.C10H16N2.C10H17NO.C9H14N2.C8H15N3/c1-13(2)8-11-17(14(3)4)12-9-15-7-5-6-10-16-15;1-12(2)8-10-16(13(3)4)11-14-7-5-6-9-15-14;1-8(2)12-6-5-11-9(3)7-13-10(11)4;1-9(2)11-8-6-10-5-3-4-7-12-10;1-7(2)11-5-10-8(3)6-12-9(10)4;1-8(2)11-7-9-5-3-4-6-10-9;1-8(2)9-5-7-11-6-3-4-10-11/h5-7,10,13-14H,8-9,11-12H2,1-4H3;5-7,9,12-13H,8,10-11H2,1-4H3;8,12H,5-7H2,1-4H3;3-5,7,9,11H,6,8H2,1-2H3;6-7,11H,5H2,1-4H3;3-6,8,11H,7H2,1-2H3;3-4,6,8-9H,5,7H2,1-2H3
InChIKeyAJXWCGDSMOZPAZ-UHFFFAOYSA-N
XLogP15.36
TPSA161.51 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds31
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001270.00
LogP ≤ 515.36
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Analyze N-[(2,4-dimethylfuran-3-yl)methyl]propan-2-amine;N-[2-(3,5-dimethyl-2H-pyrrol-4-yl)ethyl]propan-2-amine;3-methyl-N-propan-2-yl-N-(2-pyridin-2-ylethyl)butan-1-amine;3-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)butan-1-amine;N-(2-pyrazol-1-ylethyl)propan-2-amine;N-(2-pyridin-2-ylethyl)propan-2-amine;N-(pyridin-2-ylmethyl)propan-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylfuran-3-yl)methyl]propan-2-amine;N-[2-(3,5-dimethyl-2H-pyrrol-4-yl)ethyl]propan-2-amine;3-methyl-N-propan-2-yl-N-(2-pyridin-2-ylethyl)butan-1-amine;3-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)butan-1-amine;N-(2-pyrazol-1-ylethyl)propan-2-amine;N-(2-pyridin-2-ylethyl)propan-2-amine;N-(pyridin-2-ylmethyl)propan-2-amine?
The IUPAC name of N-[(2,4-dimethylfuran-3-yl)methyl]propan-2-amine;N-[2-(3,5-dimethyl-2H-pyrrol-4-yl)ethyl]propan-2-amine;3-methyl-N-propan-2-yl-N-(2-pyridin-2-ylethyl)butan-1-amine;3-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)butan-1-amine;N-(2-pyrazol-1-ylethyl)propan-2-amine;N-(2-pyridin-2-ylethyl)propan-2-amine;N-(pyridin-2-ylmethyl)propan-2-amine (CID 157138679) is N-[(2,4-dimethylfuran-3-yl)methyl]propan-2-amine;N-[2-(3,5-dimethyl-2H-pyrrol-4-yl)ethyl]propan-2-amine;3-methyl-N-propan-2-yl-N-(2-pyridin-2-ylethyl)butan-1-amine;3-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)butan-1-amine;N-(2-pyrazol-1-ylethyl)propan-2-amine;N-(2-pyridin-2-ylethyl)propan-2-amine;N-(pyridin-2-ylmethyl)propan-2-amine.
What is the SMILES notation for N-[(2,4-dimethylfuran-3-yl)methyl]propan-2-amine;N-[2-(3,5-dimethyl-2H-pyrrol-4-yl)ethyl]propan-2-amine;3-methyl-N-propan-2-yl-N-(2-pyridin-2-ylethyl)butan-1-amine;3-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)butan-1-amine;N-(2-pyrazol-1-ylethyl)propan-2-amine;N-(2-pyridin-2-ylethyl)propan-2-amine;N-(pyridin-2-ylmethyl)propan-2-amine?
The canonical SMILES for N-[(2,4-dimethylfuran-3-yl)methyl]propan-2-amine;N-[2-(3,5-dimethyl-2H-pyrrol-4-yl)ethyl]propan-2-amine;3-methyl-N-propan-2-yl-N-(2-pyridin-2-ylethyl)butan-1-amine;3-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)butan-1-amine;N-(2-pyrazol-1-ylethyl)propan-2-amine;N-(2-pyridin-2-ylethyl)propan-2-amine;N-(pyridin-2-ylmethyl)propan-2-amine is CC(C)CCN(CCc1ccccn1)C(C)C.CC(C)CCN(Cc1ccccn1)C(C)C.CC(C)NCCc1ccccn1.CC(C)NCCn1cccn1.CC(C)NCc1ccccn1.CC1=NCC(C)=C1CCNC(C)C.Cc1coc(C)c1CNC(C)C.
What is the InChIKey of N-[(2,4-dimethylfuran-3-yl)methyl]propan-2-amine;N-[2-(3,5-dimethyl-2H-pyrrol-4-yl)ethyl]propan-2-amine;3-methyl-N-propan-2-yl-N-(2-pyridin-2-ylethyl)butan-1-amine;3-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)butan-1-amine;N-(2-pyrazol-1-ylethyl)propan-2-amine;N-(2-pyridin-2-ylethyl)propan-2-amine;N-(pyridin-2-ylmethyl)propan-2-amine?
The InChIKey is AJXWCGDSMOZPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2.C14H24N2.C11H20N2.C10H16N2.C10H17NO.C9H14N2.C8H15N3/c1-13(2)8-11-17(14(3)4)12-9-15-7-5-6-10-16-15;1-12(2)8-10-16(13(3)4)11-14-7-5-6-9-15-14;1-8(2)12-6-5-11-9(3)7-13-10(11)4;1-9(2)11-8-6-10-5-3-4-7-12-10;1-7(2)11-5-10-8(3)6-12-9(10)4;1-8(2)11-7-9-5-3-4-6-10-9;1-8(2)9-5-7-11-6-3-4-10-11/h5-7,10,13-14H,8-9,11-12H2,1-4H3;5-7,9,12-13H,8,10-11H2,1-4H3;8,12H,5-7H2,1-4H3;3-5,7,9,11H,6,8H2,1-2H3;6-7,11H,5H2,1-4H3;3-6,8,11H,7H2,1-2H3;3-4,6,8-9H,5,7H2,1-2H3.
What are the key properties of N-[(2,4-dimethylfuran-3-yl)methyl]propan-2-amine;N-[2-(3,5-dimethyl-2H-pyrrol-4-yl)ethyl]propan-2-amine;3-methyl-N-propan-2-yl-N-(2-pyridin-2-ylethyl)butan-1-amine;3-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)butan-1-amine;N-(2-pyrazol-1-ylethyl)propan-2-amine;N-(2-pyridin-2-ylethyl)propan-2-amine;N-(pyridin-2-ylmethyl)propan-2-amine?
N-[(2,4-dimethylfuran-3-yl)methyl]propan-2-amine;N-[2-(3,5-dimethyl-2H-pyrrol-4-yl)ethyl]propan-2-amine;3-methyl-N-propan-2-yl-N-(2-pyridin-2-ylethyl)butan-1-amine;3-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)butan-1-amine;N-(2-pyrazol-1-ylethyl)propan-2-amine;N-(2-pyridin-2-ylethyl)propan-2-amine;N-(pyridin-2-ylmethyl)propan-2-amine has a molecular weight of 1270.00 g/mol, XLogP of 15.36, 31 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylfuran-3-yl)methyl]propan-2-amine;N-[2-(3,5-dimethyl-2H-pyrrol-4-yl)ethyl]propan-2-amine;3-methyl-N-propan-2-yl-N-(2-pyridin-2-ylethyl)butan-1-amine;3-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)butan-1-amine;N-(2-pyrazol-1-ylethyl)propan-2-amine;N-(2-pyridin-2-ylethyl)propan-2-amine;N-(pyridin-2-ylmethyl)propan-2-amine is sourced from PubChem (CID 157138679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).