3-[[(1R)-1-(furan-2-yl)ethyl]amino]butanenitrile

C10H14N2O — CID 81400905

IUPAC3-[[(1R)-1-(furan-2-yl)ethyl]amino]butanenitrile
SMILESCC(CC#N)N[C@H](C)c1ccco1
InChIInChI=1S/C10H14N2O/c1-8(5-6-11)12-9(2)10-4-3-7-13-10/h3-4,7-9,12H,5H2,1-2H3/t8?,9-/m1/s1
InChIKeyJXFLVPNMORIDPY-YGPZHTELSA-N
MW178.24 g/mol
LogP2.23
Rot. Bonds4

About 3-[[(1R)-1-(furan-2-yl)ethyl]amino]butanenitrile

3-[[(1R)-1-(furan-2-yl)ethyl]amino]butanenitrile (PubChem CID 81400905) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 3-[[(1R)-1-(furan-2-yl)ethyl]amino]butanenitrile.

Molecular Properties

Compound Name3-[[(1R)-1-(furan-2-yl)ethyl]amino]butanenitrile
PubChem CID81400905
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name3-[[(1R)-1-(furan-2-yl)ethyl]amino]butanenitrile
SMILESCC(CC#N)N[C@H](C)c1ccco1
InChIInChI=1S/C10H14N2O/c1-8(5-6-11)12-9(2)10-4-3-7-13-10/h3-4,7-9,12H,5H2,1-2H3/t8?,9-/m1/s1
InChIKeyJXFLVPNMORIDPY-YGPZHTELSA-N
XLogP2.23
TPSA48.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(furan-2-yl)ethyl]pentan-2-amine
CID 81402655
4-[[(1S)-1-(furan-2-yl)ethyl]amino]butanenitrile
CID 81401126
5-[1-(furan-2-yl)ethylamino]pentanenitrile
CID 60698105
(2S)-1-ethylsulfonyl-N-[(1R)-1-(furan-2-yl)ethyl]propan-2-amine
CID 97070512
N-[1-(furan-2-yl)ethyl]-1-methylsulfonylpropan-2-amine
CID 64630530
N-[1-(furan-2-yl)ethyl]-1-(2-methylphenyl)propan-2-amine
CID 54864150
1-(furan-2-yl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-1-amine
CID 81403040
(2R)-2-[1-(furan-2-yl)ethylamino]butan-1-ol
CID 103922442
N-(cyanomethyl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide
CID 81400149
N-[1-(furan-2-yl)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 43749135
4-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]propyl]phenol
CID 115494501
3-[1-(2-fluorophenyl)ethylamino]butanenitrile
CID 61361823

Frequently Asked Questions

What is the IUPAC name of 3-[[(1R)-1-(furan-2-yl)ethyl]amino]butanenitrile?
The IUPAC name of 3-[[(1R)-1-(furan-2-yl)ethyl]amino]butanenitrile (CID 81400905) is 3-[[(1R)-1-(furan-2-yl)ethyl]amino]butanenitrile.
What is the SMILES notation for 3-[[(1R)-1-(furan-2-yl)ethyl]amino]butanenitrile?
The canonical SMILES for 3-[[(1R)-1-(furan-2-yl)ethyl]amino]butanenitrile is CC(CC#N)N[C@H](C)c1ccco1.
What is the InChIKey of 3-[[(1R)-1-(furan-2-yl)ethyl]amino]butanenitrile?
The InChIKey is JXFLVPNMORIDPY-YGPZHTELSA-N. The full InChI is InChI=1S/C10H14N2O/c1-8(5-6-11)12-9(2)10-4-3-7-13-10/h3-4,7-9,12H,5H2,1-2H3/t8?,9-/m1/s1.
What are the key properties of 3-[[(1R)-1-(furan-2-yl)ethyl]amino]butanenitrile?
3-[[(1R)-1-(furan-2-yl)ethyl]amino]butanenitrile has a molecular weight of 178.24 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R)-1-(furan-2-yl)ethyl]amino]butanenitrile is sourced from PubChem (CID 81400905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).