3-[[2-amino-1-(furan-2-yl)butyl]-methylamino]butanenitrile

C13H21N3O — CID 55174905

IUPAC3-[[2-amino-1-(furan-2-yl)butyl]-methylamino]butanenitrile
SMILESCCC(N)C(c1ccco1)N(C)C(C)CC#N
InChIInChI=1S/C13H21N3O/c1-4-11(15)13(12-6-5-9-17-12)16(3)10(2)7-8-14/h5-6,9-11,13H,4,7,15H2,1-3H3
InChIKeyJRHMBQWJQFQAKM-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.29
Rot. Bonds6

About 3-[[2-amino-1-(furan-2-yl)butyl]-methylamino]butanenitrile

3-[[2-amino-1-(furan-2-yl)butyl]-methylamino]butanenitrile (PubChem CID 55174905) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-[[2-amino-1-(furan-2-yl)butyl]-methylamino]butanenitrile.

Molecular Properties

Compound Name3-[[2-amino-1-(furan-2-yl)butyl]-methylamino]butanenitrile
PubChem CID55174905
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-[[2-amino-1-(furan-2-yl)butyl]-methylamino]butanenitrile
SMILESCCC(N)C(c1ccco1)N(C)C(C)CC#N
InChIInChI=1S/C13H21N3O/c1-4-11(15)13(12-6-5-9-17-12)16(3)10(2)7-8-14/h5-6,9-11,13H,4,7,15H2,1-3H3
InChIKeyJRHMBQWJQFQAKM-UHFFFAOYSA-N
XLogP2.29
TPSA66.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[[2-amino-1-(furan-2-yl)butyl]-methylamino]butanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(furan-2-yl)-1-N-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,2-diamine
CID 63841942
(1S)-1-(furan-2-yl)propan-1-amine;hydrochloride
CID 11615221
1-(furan-2-yl)-1-N-methyl-1-N-(oxan-4-ylmethyl)butane-1,2-diamine
CID 63725736
1-N-[1-(furan-2-yl)propyl]-1-N,4-dimethylpentane-1,3-diamine
CID 115317299
3-[[(1R)-1-(furan-2-yl)ethyl]amino]butanenitrile
CID 81400905
3-[[2-amino-1-(3-chlorophenyl)propyl]-methylamino]butanenitrile
CID 55174518
1-(furan-2-yl)-1-N-methyl-1-N-(oxan-3-ylmethyl)butane-1,2-diamine
CID 63725204
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(furan-2-yl)-1-N-methylbutane-1,2-diamine
CID 63688288
2-ethyl-1-(furan-2-yl)-3-methylbutan-1-amine
CID 82408122
1-[[2-amino-1-(furan-2-yl)propyl]-methylamino]-2-methylpropan-2-ol
CID 79384583
1-(furan-2-yl)butan-1-amine;hydrochloride
CID 86262899
1-(furan-2-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 16795656

Frequently Asked Questions

What is the IUPAC name of 3-[[2-amino-1-(furan-2-yl)butyl]-methylamino]butanenitrile?
The IUPAC name of 3-[[2-amino-1-(furan-2-yl)butyl]-methylamino]butanenitrile (CID 55174905) is 3-[[2-amino-1-(furan-2-yl)butyl]-methylamino]butanenitrile.
What is the SMILES notation for 3-[[2-amino-1-(furan-2-yl)butyl]-methylamino]butanenitrile?
The canonical SMILES for 3-[[2-amino-1-(furan-2-yl)butyl]-methylamino]butanenitrile is CCC(N)C(c1ccco1)N(C)C(C)CC#N.
What is the InChIKey of 3-[[2-amino-1-(furan-2-yl)butyl]-methylamino]butanenitrile?
The InChIKey is JRHMBQWJQFQAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-4-11(15)13(12-6-5-9-17-12)16(3)10(2)7-8-14/h5-6,9-11,13H,4,7,15H2,1-3H3.
What are the key properties of 3-[[2-amino-1-(furan-2-yl)butyl]-methylamino]butanenitrile?
3-[[2-amino-1-(furan-2-yl)butyl]-methylamino]butanenitrile has a molecular weight of 235.33 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-amino-1-(furan-2-yl)butyl]-methylamino]butanenitrile is sourced from PubChem (CID 55174905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).