4-[[4-(furan-2-yl)butan-2-ylamino]methyl]-1-methylpyrrole-2-carbonitrile

C15H19N3O — CID 103202626

IUPAC4-[[4-(furan-2-yl)butan-2-ylamino]methyl]-1-methylpyrrole-2-carbonitrile
SMILESCC(CCc1ccco1)NCc1cc(C#N)n(C)c1
InChIInChI=1S/C15H19N3O/c1-12(5-6-15-4-3-7-19-15)17-10-13-8-14(9-16)18(2)11-13/h3-4,7-8,11-12,17H,5-6,10H2,1-2H3
InChIKeyJLCDNKSKGLUFBI-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.60
Rot. Bonds6

About 4-[[4-(furan-2-yl)butan-2-ylamino]methyl]-1-methylpyrrole-2-carbonitrile

4-[[4-(furan-2-yl)butan-2-ylamino]methyl]-1-methylpyrrole-2-carbonitrile (PubChem CID 103202626) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-[[4-(furan-2-yl)butan-2-ylamino]methyl]-1-methylpyrrole-2-carbonitrile.

Molecular Properties

Compound Name4-[[4-(furan-2-yl)butan-2-ylamino]methyl]-1-methylpyrrole-2-carbonitrile
PubChem CID103202626
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name4-[[4-(furan-2-yl)butan-2-ylamino]methyl]-1-methylpyrrole-2-carbonitrile
SMILESCC(CCc1ccco1)NCc1cc(C#N)n(C)c1
InChIInChI=1S/C15H19N3O/c1-12(5-6-15-4-3-7-19-15)17-10-13-8-14(9-16)18(2)11-13/h3-4,7-8,11-12,17H,5-6,10H2,1-2H3
InChIKeyJLCDNKSKGLUFBI-UHFFFAOYSA-N
XLogP2.60
TPSA53.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-2-[[4-(furan-2-yl)butan-2-ylamino]methyl]benzonitrile
CID 107904110
N-[[3-(difluoromethyl)phenyl]methyl]-4-(furan-2-yl)butan-2-amine
CID 115526047
4-(furan-2-yl)-N-(thiophen-3-ylmethyl)butan-2-amine
CID 43182405
N-[(3-fluoro-4-methylphenyl)methyl]-4-(furan-2-yl)butan-2-amine
CID 55245951
N-[(5-bromothiophen-3-yl)methyl]-4-(furan-2-yl)butan-2-amine
CID 43431981
4-(furan-2-yl)-N-[(4-propan-2-yloxyphenyl)methyl]butan-2-amine
CID 43769805
N-[(5-bromo-3-pyridinyl)methyl]-4-(furan-2-yl)butan-2-amine
CID 104796828
N-[(4-bromo-3-fluorophenyl)methyl]-4-(furan-2-yl)butan-2-amine
CID 81002706
N-but-2-ynyl-4-(furan-2-yl)butan-2-amine
CID 62311547
2-[4-[[4-(furan-2-yl)butan-2-ylamino]methyl]phenyl]acetic acid
CID 103246843
N-[[4-(difluoromethoxy)phenyl]methyl]-4-(furan-2-yl)butan-2-amine
CID 43182373
N-(furan-2-ylmethyl)-4-phenylbutan-2-amine
CID 3156796

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(furan-2-yl)butan-2-ylamino]methyl]-1-methylpyrrole-2-carbonitrile?
The IUPAC name of 4-[[4-(furan-2-yl)butan-2-ylamino]methyl]-1-methylpyrrole-2-carbonitrile (CID 103202626) is 4-[[4-(furan-2-yl)butan-2-ylamino]methyl]-1-methylpyrrole-2-carbonitrile.
What is the SMILES notation for 4-[[4-(furan-2-yl)butan-2-ylamino]methyl]-1-methylpyrrole-2-carbonitrile?
The canonical SMILES for 4-[[4-(furan-2-yl)butan-2-ylamino]methyl]-1-methylpyrrole-2-carbonitrile is CC(CCc1ccco1)NCc1cc(C#N)n(C)c1.
What is the InChIKey of 4-[[4-(furan-2-yl)butan-2-ylamino]methyl]-1-methylpyrrole-2-carbonitrile?
The InChIKey is JLCDNKSKGLUFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-12(5-6-15-4-3-7-19-15)17-10-13-8-14(9-16)18(2)11-13/h3-4,7-8,11-12,17H,5-6,10H2,1-2H3.
What are the key properties of 4-[[4-(furan-2-yl)butan-2-ylamino]methyl]-1-methylpyrrole-2-carbonitrile?
4-[[4-(furan-2-yl)butan-2-ylamino]methyl]-1-methylpyrrole-2-carbonitrile has a molecular weight of 257.34 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(furan-2-yl)butan-2-ylamino]methyl]-1-methylpyrrole-2-carbonitrile is sourced from PubChem (CID 103202626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).