2-[cyclopropyl(cyclopropylmethyl)amino]acetonitrile

C9H14N2 — CID 63091460

IUPAC2-[cyclopropyl(cyclopropylmethyl)amino]acetonitrile
SMILESN#CCN(CC1CC1)C1CC1
InChIInChI=1S/C9H14N2/c10-5-6-11(9-3-4-9)7-8-1-2-8/h8-9H,1-4,6-7H2
InChIKeyBBJYUWKRMJIBKA-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.38
Rot. Bonds4

About 2-[cyclopropyl(cyclopropylmethyl)amino]acetonitrile

2-[cyclopropyl(cyclopropylmethyl)amino]acetonitrile (PubChem CID 63091460) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 2-[cyclopropyl(cyclopropylmethyl)amino]acetonitrile.

Molecular Properties

Compound Name2-[cyclopropyl(cyclopropylmethyl)amino]acetonitrile
PubChem CID63091460
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name2-[cyclopropyl(cyclopropylmethyl)amino]acetonitrile
SMILESN#CCN(CC1CC1)C1CC1
InChIInChI=1S/C9H14N2/c10-5-6-11(9-3-4-9)7-8-1-2-8/h8-9H,1-4,6-7H2
InChIKeyBBJYUWKRMJIBKA-UHFFFAOYSA-N
XLogP1.38
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[cyclopropyl(cyclopropylmethyl)amino]acetonitrile 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

2-[[Cyclopropyl(cyclopropylmethyl)amino]methyl]-3,3,3-trifluoropropanenitrile
CID 103367931
N-(cyclopropylmethyl)-N-methylcyclopropanamine
CID 67976432
2-(Dicyclopropylamino)acetonitrile
CID 87064277
2-[Bis(cyclopropylmethyl)amino]-2-methylpropanenitrile
CID 154025096
N-cyclopropyl-2-[(dimethylamino)methyl]-N-methylcyclopropan-1-amine
CID 156568885
cis-(1S,2S)-2-[methyl(propan-2-yl)amino]cyclopropane-1-carbonitrile
CID 169655565
3-(Dicyclopropylamino)propanenitrile
CID 176387997
2-[1-Cyclopropylethyl(methyl)amino]acetonitrile
CID 43420522
2-[Cyclopropylmethyl(propan-2-yl)amino]acetonitrile
CID 60967042
3-[Butyl(cyclopropyl)amino]-2-methylpropanenitrile
CID 61441483
3-[Cyclopropylmethyl(propan-2-yl)amino]propanenitrile
CID 61586087
3-[Cyclopropyl(cyclopropylmethyl)amino]propanenitrile
CID 61586883

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(cyclopropylmethyl)amino]acetonitrile?
The IUPAC name of 2-[cyclopropyl(cyclopropylmethyl)amino]acetonitrile (CID 63091460) is 2-[cyclopropyl(cyclopropylmethyl)amino]acetonitrile.
What is the SMILES notation for 2-[cyclopropyl(cyclopropylmethyl)amino]acetonitrile?
The canonical SMILES for 2-[cyclopropyl(cyclopropylmethyl)amino]acetonitrile is N#CCN(CC1CC1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(cyclopropylmethyl)amino]acetonitrile?
The InChIKey is BBJYUWKRMJIBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c10-5-6-11(9-3-4-9)7-8-1-2-8/h8-9H,1-4,6-7H2.
What are the key properties of 2-[cyclopropyl(cyclopropylmethyl)amino]acetonitrile?
2-[cyclopropyl(cyclopropylmethyl)amino]acetonitrile has a molecular weight of 150.22 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(cyclopropylmethyl)amino]acetonitrile is sourced from PubChem (CID 63091460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).