2-[1-[[(2,3-dimethylcyclopentyl)amino]methyl]cyclopropyl]acetonitrile

C13H22N2 — CID 65497545

IUPAC2-[1-[[(2,3-dimethylcyclopentyl)amino]methyl]cyclopropyl]acetonitrile
SMILESCC1CCC(NCC2(CC#N)CC2)C1C
InChIInChI=1S/C13H22N2/c1-10-3-4-12(11(10)2)15-9-13(5-6-13)7-8-14/h10-12,15H,3-7,9H2,1-2H3
InChIKeyJQFWEMBQCPPGDJ-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.70
Rot. Bonds4

About 2-[1-[[(2,3-dimethylcyclopentyl)amino]methyl]cyclopropyl]acetonitrile

2-[1-[[(2,3-dimethylcyclopentyl)amino]methyl]cyclopropyl]acetonitrile (PubChem CID 65497545) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-[1-[[(2,3-dimethylcyclopentyl)amino]methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[[(2,3-dimethylcyclopentyl)amino]methyl]cyclopropyl]acetonitrile
PubChem CID65497545
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name2-[1-[[(2,3-dimethylcyclopentyl)amino]methyl]cyclopropyl]acetonitrile
SMILESCC1CCC(NCC2(CC#N)CC2)C1C
InChIInChI=1S/C13H22N2/c1-10-3-4-12(11(10)2)15-9-13(5-6-13)7-8-14/h10-12,15H,3-7,9H2,1-2H3
InChIKeyJQFWEMBQCPPGDJ-UHFFFAOYSA-N
XLogP2.70
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(2,3-dimethylcyclopentyl)amino]methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[[(2,3-dimethylcyclopentyl)amino]methyl]cyclopropyl]acetonitrile (CID 65497545) is 2-[1-[[(2,3-dimethylcyclopentyl)amino]methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[[(2,3-dimethylcyclopentyl)amino]methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[[(2,3-dimethylcyclopentyl)amino]methyl]cyclopropyl]acetonitrile is CC1CCC(NCC2(CC#N)CC2)C1C.
What is the InChIKey of 2-[1-[[(2,3-dimethylcyclopentyl)amino]methyl]cyclopropyl]acetonitrile?
The InChIKey is JQFWEMBQCPPGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-10-3-4-12(11(10)2)15-9-13(5-6-13)7-8-14/h10-12,15H,3-7,9H2,1-2H3.
What are the key properties of 2-[1-[[(2,3-dimethylcyclopentyl)amino]methyl]cyclopropyl]acetonitrile?
2-[1-[[(2,3-dimethylcyclopentyl)amino]methyl]cyclopropyl]acetonitrile has a molecular weight of 206.33 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(2,3-dimethylcyclopentyl)amino]methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 65497545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).