2-(4-methylcyclohexyl)pyrrolidine-2-carbonitrile

C12H20N2 — CID 130542530

IUPAC2-(4-methylcyclohexyl)pyrrolidine-2-carbonitrile
SMILESCC1CCC(C2(C#N)CCCN2)CC1
InChIInChI=1S/C12H20N2/c1-10-3-5-11(6-4-10)12(9-13)7-2-8-14-12/h10-11,14H,2-8H2,1H3
InChIKeyUFZVKXWXURQRSS-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.46
Rot. Bonds1

About 2-(4-methylcyclohexyl)pyrrolidine-2-carbonitrile

2-(4-methylcyclohexyl)pyrrolidine-2-carbonitrile (PubChem CID 130542530) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 2-(4-methylcyclohexyl)pyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name2-(4-methylcyclohexyl)pyrrolidine-2-carbonitrile
PubChem CID130542530
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name2-(4-methylcyclohexyl)pyrrolidine-2-carbonitrile
SMILESCC1CCC(C2(C#N)CCCN2)CC1
InChIInChI=1S/C12H20N2/c1-10-3-5-11(6-4-10)12(9-13)7-2-8-14-12/h10-11,14H,2-8H2,1H3
InChIKeyUFZVKXWXURQRSS-UHFFFAOYSA-N
XLogP2.46
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropylpyrrolidine-2-carbonitrile
CID 90115241
(4aR,8aS)-2,3,4,4a,5,6,7,8-octahydro-1H-quinoline-8a-carbonitrile
CID 131005908
2-(4-methylcyclohexyl)-2-propan-2-ylazepane
CID 79118380
2-methyl-2-[(4-methylcyclohexyl)methyl]pyrrolidine
CID 104688162
2,2-dicyclopropylpyrrolidine
CID 66466042
2-cyano-N-methylpyrrolidine-2-carboxamide
CID 45115870
7-azabicyclo[4.1.0]heptane-1-carbonitrile
CID 55299869
1-[(1-cyano-4-methylcyclohexyl)diazenyl]-4-methylcyclohexane-1-carbonitrile
CID 70850405
1-[(4-methylcyclohexyl)methyl]cyclopropane-1-carbonitrile
CID 130596815
3-amino-2-methylpiperidine-3-carbonitrile
CID 131218847
6-(4-methylcyclohexyl)bicyclo[3.1.0]hexan-6-amine
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1-(4-methylcyclohexyl)cyclobutane-1-carbaldehyde
CID 130700511

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylcyclohexyl)pyrrolidine-2-carbonitrile?
The IUPAC name of 2-(4-methylcyclohexyl)pyrrolidine-2-carbonitrile (CID 130542530) is 2-(4-methylcyclohexyl)pyrrolidine-2-carbonitrile.
What is the SMILES notation for 2-(4-methylcyclohexyl)pyrrolidine-2-carbonitrile?
The canonical SMILES for 2-(4-methylcyclohexyl)pyrrolidine-2-carbonitrile is CC1CCC(C2(C#N)CCCN2)CC1.
What is the InChIKey of 2-(4-methylcyclohexyl)pyrrolidine-2-carbonitrile?
The InChIKey is UFZVKXWXURQRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-10-3-5-11(6-4-10)12(9-13)7-2-8-14-12/h10-11,14H,2-8H2,1H3.
What are the key properties of 2-(4-methylcyclohexyl)pyrrolidine-2-carbonitrile?
2-(4-methylcyclohexyl)pyrrolidine-2-carbonitrile has a molecular weight of 192.31 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylcyclohexyl)pyrrolidine-2-carbonitrile is sourced from PubChem (CID 130542530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).