N-(furan-2-ylmethyl)-N-[(1-pyridin-2-ylpyrrol-2-yl)methyl]butan-1-amine

C19H23N3O — CID 46989025

IUPACN-(furan-2-ylmethyl)-N-[(1-pyridin-2-ylpyrrol-2-yl)methyl]butan-1-amine
SMILESCCCCN(Cc1ccco1)Cc1cccn1-c1ccccn1
InChIInChI=1S/C19H23N3O/c1-2-3-12-21(16-18-9-7-14-23-18)15-17-8-6-13-22(17)19-10-4-5-11-20-19/h4-11,13-14H,2-3,12,15-16H2,1H3
InChIKeyRQULIINLHSASFR-UHFFFAOYSA-N
MW309.41 g/mol
LogP4.27
Rot. Bonds8

About N-(furan-2-ylmethyl)-N-[(1-pyridin-2-ylpyrrol-2-yl)methyl]butan-1-amine

N-(furan-2-ylmethyl)-N-[(1-pyridin-2-ylpyrrol-2-yl)methyl]butan-1-amine (PubChem CID 46989025) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-[(1-pyridin-2-ylpyrrol-2-yl)methyl]butan-1-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-[(1-pyridin-2-ylpyrrol-2-yl)methyl]butan-1-amine
PubChem CID46989025
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC NameN-(furan-2-ylmethyl)-N-[(1-pyridin-2-ylpyrrol-2-yl)methyl]butan-1-amine
SMILESCCCCN(Cc1ccco1)Cc1cccn1-c1ccccn1
InChIInChI=1S/C19H23N3O/c1-2-3-12-21(16-18-9-7-14-23-18)15-17-8-6-13-22(17)19-10-4-5-11-20-19/h4-11,13-14H,2-3,12,15-16H2,1H3
InChIKeyRQULIINLHSASFR-UHFFFAOYSA-N
XLogP4.27
TPSA34.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-N-pentylpentan-1-amine
CID 86163523
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-(furan-2-ylmethyl)butan-1-amine
CID 46990481
N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-N-(furan-2-ylmethyl)butan-1-amine
CID 46983650
N-ethyl-N-[[1-(6-methoxy-3-pyridinyl)pyrrol-2-yl]methyl]butan-1-amine
CID 4283887
N'-ethyl-N'-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 62557722
N-(furan-2-ylmethyl)-N-[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methyl]butan-1-amine
CID 46982555
1-(furan-2-yl)-N,N-bis(pyrazol-1-ylmethyl)methanamine
CID 122369866
2-[furan-2-ylmethyl(propyl)amino]-1-phenylethanol
CID 42836985
N-[1-[furan-2-ylmethyl(pyridin-2-ylmethyl)amino]propan-2-ylidene]hydroxylamine
CID 71426063
3-[[ethyl(furan-2-ylmethyl)amino]methyl]-N-methylpyridin-2-amine
CID 62465389
1-(oxolan-2-yl)-N-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-N-(thiophen-3-ylmethyl)methanamine
CID 46986544
N-butyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-methylpropanamide
CID 3620431

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-[(1-pyridin-2-ylpyrrol-2-yl)methyl]butan-1-amine?
The IUPAC name of N-(furan-2-ylmethyl)-N-[(1-pyridin-2-ylpyrrol-2-yl)methyl]butan-1-amine (CID 46989025) is N-(furan-2-ylmethyl)-N-[(1-pyridin-2-ylpyrrol-2-yl)methyl]butan-1-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-[(1-pyridin-2-ylpyrrol-2-yl)methyl]butan-1-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-N-[(1-pyridin-2-ylpyrrol-2-yl)methyl]butan-1-amine is CCCCN(Cc1ccco1)Cc1cccn1-c1ccccn1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-[(1-pyridin-2-ylpyrrol-2-yl)methyl]butan-1-amine?
The InChIKey is RQULIINLHSASFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-2-3-12-21(16-18-9-7-14-23-18)15-17-8-6-13-22(17)19-10-4-5-11-20-19/h4-11,13-14H,2-3,12,15-16H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-N-[(1-pyridin-2-ylpyrrol-2-yl)methyl]butan-1-amine?
N-(furan-2-ylmethyl)-N-[(1-pyridin-2-ylpyrrol-2-yl)methyl]butan-1-amine has a molecular weight of 309.41 g/mol, XLogP of 4.27, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-[(1-pyridin-2-ylpyrrol-2-yl)methyl]butan-1-amine is sourced from PubChem (CID 46989025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).