3-(2,3-dihydro-1H-inden-2-ylamino)butanenitrile

C13H16N2 — CID 103830749

IUPAC3-(2,3-dihydro-1H-inden-2-ylamino)butanenitrile
SMILESCC(CC#N)NC1Cc2ccccc2C1
InChIInChI=1S/C13H16N2/c1-10(6-7-14)15-13-8-11-4-2-3-5-12(11)9-13/h2-5,10,13,15H,6,8-9H2,1H3
InChIKeyQVFDARKGBABFJJ-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.05
Rot. Bonds3

About 3-(2,3-dihydro-1H-inden-2-ylamino)butanenitrile

3-(2,3-dihydro-1H-inden-2-ylamino)butanenitrile (PubChem CID 103830749) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-2-ylamino)butanenitrile.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-2-ylamino)butanenitrile
PubChem CID103830749
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name3-(2,3-dihydro-1H-inden-2-ylamino)butanenitrile
SMILESCC(CC#N)NC1Cc2ccccc2C1
InChIInChI=1S/C13H16N2/c1-10(6-7-14)15-13-8-11-4-2-3-5-12(11)9-13/h2-5,10,13,15H,6,8-9H2,1H3
InChIKeyQVFDARKGBABFJJ-UHFFFAOYSA-N
XLogP2.05
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2,3-dihydro-1H-inden-2-ylamino)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

N-[(2R)-butan-2-yl]-2,3-dihydro-1H-inden-2-amine
CID 93092975
2-N-(2,3-dihydro-1H-inden-2-yl)propane-1,2-diamine
CID 107850036
N-(1-methylsulfonylpropan-2-yl)-2,3-dihydro-1H-inden-2-amine
CID 64629774
N-(1-methylsulfinylpropan-2-yl)-2,3-dihydro-1H-inden-2-amine
CID 104537653
3-(2,3-dihydro-1H-inden-2-yloxy)butanenitrile
CID 175729678
4-[(2R)-2-(2,3-dihydro-1H-inden-2-ylamino)propyl]phenol
CID 71369040
3-(thietan-3-ylamino)butanenitrile
CID 126994404
3-[(3,5-dimethylcyclohexyl)amino]butanenitrile
CID 64722971
ethyl 3-(2,3-dihydro-1H-inden-2-ylamino)butanoate
CID 114009131
N-[1-(2-methoxyphenyl)propan-2-yl]-2,3-dihydro-1H-inden-2-amine
CID 60935059
3-[(5-oxopyrrolidin-3-yl)amino]butanenitrile
CID 105036476
N-heptan-4-yl-2,3-dihydro-1H-inden-2-amine
CID 104694875

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-2-ylamino)butanenitrile?
The IUPAC name of 3-(2,3-dihydro-1H-inden-2-ylamino)butanenitrile (CID 103830749) is 3-(2,3-dihydro-1H-inden-2-ylamino)butanenitrile.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-2-ylamino)butanenitrile?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-2-ylamino)butanenitrile is CC(CC#N)NC1Cc2ccccc2C1.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-2-ylamino)butanenitrile?
The InChIKey is QVFDARKGBABFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-10(6-7-14)15-13-8-11-4-2-3-5-12(11)9-13/h2-5,10,13,15H,6,8-9H2,1H3.
What are the key properties of 3-(2,3-dihydro-1H-inden-2-ylamino)butanenitrile?
3-(2,3-dihydro-1H-inden-2-ylamino)butanenitrile has a molecular weight of 200.28 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-2-ylamino)butanenitrile is sourced from PubChem (CID 103830749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).