1-(furan-2-yl)-N-(pyridin-3-ylmethyl)propan-1-amine

C13H16N2O — CID 62633957

IUPAC1-(furan-2-yl)-N-(pyridin-3-ylmethyl)propan-1-amine
SMILESCCC(NCc1cccnc1)c1ccco1
InChIInChI=1S/C13H16N2O/c1-2-12(13-6-4-8-16-13)15-10-11-5-3-7-14-9-11/h3-9,12,15H,2,10H2,1H3
InChIKeyCAUASPKMEMPJBL-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.92
Rot. Bonds5

About 1-(furan-2-yl)-N-(pyridin-3-ylmethyl)propan-1-amine

1-(furan-2-yl)-N-(pyridin-3-ylmethyl)propan-1-amine (PubChem CID 62633957) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-(pyridin-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-(pyridin-3-ylmethyl)propan-1-amine
PubChem CID62633957
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name1-(furan-2-yl)-N-(pyridin-3-ylmethyl)propan-1-amine
SMILESCCC(NCc1cccnc1)c1ccco1
InChIInChI=1S/C13H16N2O/c1-2-12(13-6-4-8-16-13)15-10-11-5-3-7-14-9-11/h3-9,12,15H,2,10H2,1H3
InChIKeyCAUASPKMEMPJBL-UHFFFAOYSA-N
XLogP2.92
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-2-yl)-N-[(3-methyl-4-pyridinyl)methyl]propan-1-amine
CID 114698636
1-(furan-2-yl)-N-methyl-2-pyridin-3-ylethanamine
CID 63949985
1-(furan-2-yl)-N-(1H-pyrazol-4-ylmethyl)propan-1-amine
CID 62633449
1-(furan-2-yl)-N-[(2-methoxy-4-pyridinyl)methyl]propan-1-amine
CID 62990396
(1S)-1-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)propan-1-amine
CID 948867
(2S,3S)-3-methyl-N-(pyridin-3-ylmethyl)pentan-2-amine
CID 28672035
4-[[1-(furan-2-yl)propylamino]methyl]benzenesulfonamide
CID 62632675
(1S)-1-[4-(difluoromethoxy)phenyl]-N-(pyridin-3-ylmethyl)propan-1-amine
CID 97096345
N-(pyridin-3-ylmethyl)heptan-4-amine
CID 28671703
2,2-dimethyl-N-(pyridin-3-ylmethyl)pentan-3-amine;hydrochloride
CID 115616065
5-methyl-N-(pyridin-3-ylmethyl)heptan-3-amine
CID 43204922
1-(furan-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine
CID 62634003

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-(pyridin-3-ylmethyl)propan-1-amine?
The IUPAC name of 1-(furan-2-yl)-N-(pyridin-3-ylmethyl)propan-1-amine (CID 62633957) is 1-(furan-2-yl)-N-(pyridin-3-ylmethyl)propan-1-amine.
What is the SMILES notation for 1-(furan-2-yl)-N-(pyridin-3-ylmethyl)propan-1-amine?
The canonical SMILES for 1-(furan-2-yl)-N-(pyridin-3-ylmethyl)propan-1-amine is CCC(NCc1cccnc1)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-N-(pyridin-3-ylmethyl)propan-1-amine?
The InChIKey is CAUASPKMEMPJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-2-12(13-6-4-8-16-13)15-10-11-5-3-7-14-9-11/h3-9,12,15H,2,10H2,1H3.
What are the key properties of 1-(furan-2-yl)-N-(pyridin-3-ylmethyl)propan-1-amine?
1-(furan-2-yl)-N-(pyridin-3-ylmethyl)propan-1-amine has a molecular weight of 216.28 g/mol, XLogP of 2.92, 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-(pyridin-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 62633957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).