1-(methylamino)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]cyclopentane-1-carbonitrile

C13H23N3 — CID 79638581

IUPAC1-(methylamino)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]cyclopentane-1-carbonitrile
SMILESCNC1(C#N)CCC(N(C)CC2CC2C)C1
InChIInChI=1S/C13H23N3/c1-10-6-11(10)8-16(3)12-4-5-13(7-12,9-14)15-2/h10-12,15H,4-8H2,1-3H3
InChIKeyCZCNEKOPCMNPRZ-UHFFFAOYSA-N
MW221.35 g/mol
LogP1.61
Rot. Bonds4

About 1-(methylamino)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]cyclopentane-1-carbonitrile

1-(methylamino)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]cyclopentane-1-carbonitrile (PubChem CID 79638581) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-(methylamino)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(methylamino)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]cyclopentane-1-carbonitrile
PubChem CID79638581
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-(methylamino)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]cyclopentane-1-carbonitrile
SMILESCNC1(C#N)CCC(N(C)CC2CC2C)C1
InChIInChI=1S/C13H23N3/c1-10-6-11(10)8-16(3)12-4-5-13(7-12,9-14)15-2/h10-12,15H,4-8H2,1-3H3
InChIKeyCZCNEKOPCMNPRZ-UHFFFAOYSA-N
XLogP1.61
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(methylamino)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]cyclopentane-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]cyclopentane-1-carbonitrile?
The IUPAC name of 1-(methylamino)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]cyclopentane-1-carbonitrile (CID 79638581) is 1-(methylamino)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(methylamino)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(methylamino)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]cyclopentane-1-carbonitrile is CNC1(C#N)CCC(N(C)CC2CC2C)C1.
What is the InChIKey of 1-(methylamino)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]cyclopentane-1-carbonitrile?
The InChIKey is CZCNEKOPCMNPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-10-6-11(10)8-16(3)12-4-5-13(7-12,9-14)15-2/h10-12,15H,4-8H2,1-3H3.
What are the key properties of 1-(methylamino)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]cyclopentane-1-carbonitrile?
1-(methylamino)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]cyclopentane-1-carbonitrile has a molecular weight of 221.35 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]cyclopentane-1-carbonitrile is sourced from PubChem (CID 79638581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).