1-[[(2,3-dimethylcyclopentyl)amino]methyl]cyclopropane-1-carbonitrile

C12H20N2 — CID 164645998

IUPAC1-[[(2,3-dimethylcyclopentyl)amino]methyl]cyclopropane-1-carbonitrile
SMILESCC1CCC(NCC2(C#N)CC2)C1C
InChIInChI=1S/C12H20N2/c1-9-3-4-11(10(9)2)14-8-12(7-13)5-6-12/h9-11,14H,3-6,8H2,1-2H3
InChIKeyQRKLEOXUFONKCD-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.31
Rot. Bonds3

About 1-[[(2,3-dimethylcyclopentyl)amino]methyl]cyclopropane-1-carbonitrile

1-[[(2,3-dimethylcyclopentyl)amino]methyl]cyclopropane-1-carbonitrile (PubChem CID 164645998) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 1-[[(2,3-dimethylcyclopentyl)amino]methyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[[(2,3-dimethylcyclopentyl)amino]methyl]cyclopropane-1-carbonitrile
PubChem CID164645998
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name1-[[(2,3-dimethylcyclopentyl)amino]methyl]cyclopropane-1-carbonitrile
SMILESCC1CCC(NCC2(C#N)CC2)C1C
InChIInChI=1S/C12H20N2/c1-9-3-4-11(10(9)2)14-8-12(7-13)5-6-12/h9-11,14H,3-6,8H2,1-2H3
InChIKeyQRKLEOXUFONKCD-UHFFFAOYSA-N
XLogP2.31
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[(2,3-dimethylcyclopentyl)amino]methyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[[(2,3-dimethylcyclopentyl)amino]methyl]cyclopropane-1-carbonitrile (CID 164645998) is 1-[[(2,3-dimethylcyclopentyl)amino]methyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[[(2,3-dimethylcyclopentyl)amino]methyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[[(2,3-dimethylcyclopentyl)amino]methyl]cyclopropane-1-carbonitrile is CC1CCC(NCC2(C#N)CC2)C1C.
What is the InChIKey of 1-[[(2,3-dimethylcyclopentyl)amino]methyl]cyclopropane-1-carbonitrile?
The InChIKey is QRKLEOXUFONKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-9-3-4-11(10(9)2)14-8-12(7-13)5-6-12/h9-11,14H,3-6,8H2,1-2H3.
What are the key properties of 1-[[(2,3-dimethylcyclopentyl)amino]methyl]cyclopropane-1-carbonitrile?
1-[[(2,3-dimethylcyclopentyl)amino]methyl]cyclopropane-1-carbonitrile has a molecular weight of 192.31 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2,3-dimethylcyclopentyl)amino]methyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 164645998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).