1-(furan-2-yl)-N-[(3-methyl-4-pyridinyl)methyl]propan-1-amine

C14H18N2O — CID 114698636

IUPAC1-(furan-2-yl)-N-[(3-methyl-4-pyridinyl)methyl]propan-1-amine
SMILESCCC(NCc1ccncc1C)c1ccco1
InChIInChI=1S/C14H18N2O/c1-3-13(14-5-4-8-17-14)16-10-12-6-7-15-9-11(12)2/h4-9,13,16H,3,10H2,1-2H3
InChIKeyVVUAKWPAIHVJEC-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.22
Rot. Bonds5

About 1-(furan-2-yl)-N-[(3-methyl-4-pyridinyl)methyl]propan-1-amine

1-(furan-2-yl)-N-[(3-methyl-4-pyridinyl)methyl]propan-1-amine (PubChem CID 114698636) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-[(3-methyl-4-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-[(3-methyl-4-pyridinyl)methyl]propan-1-amine
PubChem CID114698636
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1-(furan-2-yl)-N-[(3-methyl-4-pyridinyl)methyl]propan-1-amine
SMILESCCC(NCc1ccncc1C)c1ccco1
InChIInChI=1S/C14H18N2O/c1-3-13(14-5-4-8-17-14)16-10-12-6-7-15-9-11(12)2/h4-9,13,16H,3,10H2,1-2H3
InChIKeyVVUAKWPAIHVJEC-UHFFFAOYSA-N
XLogP3.22
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-2-yl)-N-(pyridin-3-ylmethyl)propan-1-amine
CID 62633957
1-(furan-2-yl)-N-(1H-pyrazol-4-ylmethyl)propan-1-amine
CID 62633449
1-(furan-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine
CID 62634003
3-methyl-N-[(3-methyl-4-pyridinyl)methyl]-1-phenylbutan-1-amine
CID 114698805
1-(furan-2-yl)-N-[(2-methoxy-4-pyridinyl)methyl]propan-1-amine
CID 62990396
1-ethoxy-N-[(3-methyl-4-pyridinyl)methyl]propan-2-amine
CID 114698935
1-(furan-2-yl)-N-[(2-methyl-3-nitrophenyl)methyl]propan-1-amine
CID 103114580
N'-[1-(furan-2-yl)propyl]ethane-1,2-diamine
CID 62633441
1-(furan-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine
CID 62633450
N-[(3-methyl-4-pyridinyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 114699302
ethane;N-methyl-1-(3-methyl-4-pyridinyl)methanamine
CID 144800365
N-[2-(furan-2-yl)-1-(3-methyl-4-pyridinyl)ethyl]propan-1-amine
CID 83182976

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-[(3-methyl-4-pyridinyl)methyl]propan-1-amine?
The IUPAC name of 1-(furan-2-yl)-N-[(3-methyl-4-pyridinyl)methyl]propan-1-amine (CID 114698636) is 1-(furan-2-yl)-N-[(3-methyl-4-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for 1-(furan-2-yl)-N-[(3-methyl-4-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for 1-(furan-2-yl)-N-[(3-methyl-4-pyridinyl)methyl]propan-1-amine is CCC(NCc1ccncc1C)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-N-[(3-methyl-4-pyridinyl)methyl]propan-1-amine?
The InChIKey is VVUAKWPAIHVJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-3-13(14-5-4-8-17-14)16-10-12-6-7-15-9-11(12)2/h4-9,13,16H,3,10H2,1-2H3.
What are the key properties of 1-(furan-2-yl)-N-[(3-methyl-4-pyridinyl)methyl]propan-1-amine?
1-(furan-2-yl)-N-[(3-methyl-4-pyridinyl)methyl]propan-1-amine has a molecular weight of 230.31 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-[(3-methyl-4-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 114698636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).