2-[(3-methyl-2,3-dihydro-1H-inden-1-yl)amino]acetonitrile

C12H14N2 — CID 143363528

IUPAC2-[(3-methyl-2,3-dihydro-1H-inden-1-yl)amino]acetonitrile
SMILESCC1CC(NCC#N)c2ccccc21
InChIInChI=1S/C12H14N2/c1-9-8-12(14-7-6-13)11-5-3-2-4-10(9)11/h2-5,9,12,14H,7-8H2,1H3
InChIKeyIPOKXEMNRALLNY-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.35
Rot. Bonds2

About 2-[(3-methyl-2,3-dihydro-1H-inden-1-yl)amino]acetonitrile

2-[(3-methyl-2,3-dihydro-1H-inden-1-yl)amino]acetonitrile (PubChem CID 143363528) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 2-[(3-methyl-2,3-dihydro-1H-inden-1-yl)amino]acetonitrile.

Molecular Properties

Compound Name2-[(3-methyl-2,3-dihydro-1H-inden-1-yl)amino]acetonitrile
PubChem CID143363528
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name2-[(3-methyl-2,3-dihydro-1H-inden-1-yl)amino]acetonitrile
SMILESCC1CC(NCC#N)c2ccccc21
InChIInChI=1S/C12H14N2/c1-9-8-12(14-7-6-13)11-5-3-2-4-10(9)11/h2-5,9,12,14H,7-8H2,1H3
InChIKeyIPOKXEMNRALLNY-UHFFFAOYSA-N
XLogP2.35
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-2,3-dihydro-1H-inden-1-yl)amino]acetonitrile?
The IUPAC name of 2-[(3-methyl-2,3-dihydro-1H-inden-1-yl)amino]acetonitrile (CID 143363528) is 2-[(3-methyl-2,3-dihydro-1H-inden-1-yl)amino]acetonitrile.
What is the SMILES notation for 2-[(3-methyl-2,3-dihydro-1H-inden-1-yl)amino]acetonitrile?
The canonical SMILES for 2-[(3-methyl-2,3-dihydro-1H-inden-1-yl)amino]acetonitrile is CC1CC(NCC#N)c2ccccc21.
What is the InChIKey of 2-[(3-methyl-2,3-dihydro-1H-inden-1-yl)amino]acetonitrile?
The InChIKey is IPOKXEMNRALLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-9-8-12(14-7-6-13)11-5-3-2-4-10(9)11/h2-5,9,12,14H,7-8H2,1H3.
What are the key properties of 2-[(3-methyl-2,3-dihydro-1H-inden-1-yl)amino]acetonitrile?
2-[(3-methyl-2,3-dihydro-1H-inden-1-yl)amino]acetonitrile has a molecular weight of 186.26 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-2,3-dihydro-1H-inden-1-yl)amino]acetonitrile is sourced from PubChem (CID 143363528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).