4-[furan-2-ylmethyl(methyl)amino]butanenitrile

C10H14N2O — CID 43396926

IUPAC4-[furan-2-ylmethyl(methyl)amino]butanenitrile
SMILESCN(CCCC#N)Cc1ccco1
InChIInChI=1S/C10H14N2O/c1-12(7-3-2-6-11)9-10-5-4-8-13-10/h4-5,8H,2-3,7,9H2,1H3
InChIKeySZRWKGRLHFGATP-UHFFFAOYSA-N
MW178.24 g/mol
LogP2.02
Rot. Bonds5

About 4-[furan-2-ylmethyl(methyl)amino]butanenitrile

4-[furan-2-ylmethyl(methyl)amino]butanenitrile (PubChem CID 43396926) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 4-[furan-2-ylmethyl(methyl)amino]butanenitrile.

Molecular Properties

Compound Name4-[furan-2-ylmethyl(methyl)amino]butanenitrile
PubChem CID43396926
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name4-[furan-2-ylmethyl(methyl)amino]butanenitrile
SMILESCN(CCCC#N)Cc1ccco1
InChIInChI=1S/C10H14N2O/c1-12(7-3-2-6-11)9-10-5-4-8-13-10/h4-5,8H,2-3,7,9H2,1H3
InChIKeySZRWKGRLHFGATP-UHFFFAOYSA-N
XLogP2.02
TPSA40.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyanoethyl)-3-[furan-2-ylmethyl(methyl)amino]-N-methylpropanamide
CID 43526914
4-[furan-2-ylmethyl(methyl)amino]butan-1-ol
CID 43527145
9-bromo-N-(furan-2-ylmethyl)-N-methylnonan-1-amine
CID 105343610
1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-methylmethanamine;hydrochloride
CID 3028206
N'-(furan-2-ylmethyl)-N'-methyl-N-(2-methylpropyl)propane-1,3-diamine
CID 62420801
N'-(furan-2-ylmethyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine
CID 60843082
2-[furan-2-ylmethyl(methyl)amino]propanenitrile
CID 60643804
2-[[2-cyanoethyl(sulfamoyl)amino]methyl]furan
CID 112684205
3-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-methylpropanamide
CID 62670366
N'-(furan-2-ylmethyl)-N',2-dimethylbutane-1,4-diamine
CID 81079891
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)butanamide
CID 60520035
4-[furan-2-ylmethyl(methyl)amino]-1-phenylbutan-1-one
CID 60695002

Frequently Asked Questions

What is the IUPAC name of 4-[furan-2-ylmethyl(methyl)amino]butanenitrile?
The IUPAC name of 4-[furan-2-ylmethyl(methyl)amino]butanenitrile (CID 43396926) is 4-[furan-2-ylmethyl(methyl)amino]butanenitrile.
What is the SMILES notation for 4-[furan-2-ylmethyl(methyl)amino]butanenitrile?
The canonical SMILES for 4-[furan-2-ylmethyl(methyl)amino]butanenitrile is CN(CCCC#N)Cc1ccco1.
What is the InChIKey of 4-[furan-2-ylmethyl(methyl)amino]butanenitrile?
The InChIKey is SZRWKGRLHFGATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-12(7-3-2-6-11)9-10-5-4-8-13-10/h4-5,8H,2-3,7,9H2,1H3.
What are the key properties of 4-[furan-2-ylmethyl(methyl)amino]butanenitrile?
4-[furan-2-ylmethyl(methyl)amino]butanenitrile has a molecular weight of 178.24 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[furan-2-ylmethyl(methyl)amino]butanenitrile is sourced from PubChem (CID 43396926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).