1-[(4-methylcyclohexyl)methyl]cyclopropane-1-carbonitrile

C12H19N — CID 130596815

IUPAC1-[(4-methylcyclohexyl)methyl]cyclopropane-1-carbonitrile
SMILESCC1CCC(CC2(C#N)CC2)CC1
InChIInChI=1S/C12H19N/c1-10-2-4-11(5-3-10)8-12(9-13)6-7-12/h10-11H,2-8H2,1H3
InChIKeyAGPPXKPXJUUSBZ-UHFFFAOYSA-N
MW177.29 g/mol
LogP3.51
Rot. Bonds2

About 1-[(4-methylcyclohexyl)methyl]cyclopropane-1-carbonitrile

1-[(4-methylcyclohexyl)methyl]cyclopropane-1-carbonitrile (PubChem CID 130596815) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 1-[(4-methylcyclohexyl)methyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[(4-methylcyclohexyl)methyl]cyclopropane-1-carbonitrile
PubChem CID130596815
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name1-[(4-methylcyclohexyl)methyl]cyclopropane-1-carbonitrile
SMILESCC1CCC(CC2(C#N)CC2)CC1
InChIInChI=1S/C12H19N/c1-10-2-4-11(5-3-10)8-12(9-13)6-7-12/h10-11H,2-8H2,1H3
InChIKeyAGPPXKPXJUUSBZ-UHFFFAOYSA-N
XLogP3.51
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(4-hydroxycyclohexyl)methyl]cyclopropane-1-carbonitrile
CID 130599709
1-(cyclopropylmethyl)cyclohexane-1-carbonitrile
CID 126977193
4-(4-methylcyclohexyl)-1-[2-(4-methylcyclohexyl)ethyl]cyclohexane-1-carbonitrile
CID 20693737
1,4-bis[(4-methylcyclohexyl)methyl]-1-prop-1-ynylcyclohexane
CID 20693689
3-(cyclopropylmethyl)-1,1-dioxothiolane-3-carbonitrile
CID 130514346
4-methyl-1-nonylcyclohexane-1-carbonitrile
CID 65378716
4-methyl-1-(2-methylpropyl)cyclohexane-1-carbonitrile
CID 65376426
1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylcyclohexane-1-carbonitrile
CID 79550902
tert-butyl 4-cyano-4-(cyclopropylmethyl)piperidine-1-carboxylate
CID 57425738
1-[[(2R)-oxiran-2-yl]methyl]cyclopropane-1-carbonitrile
CID 125448984
1-[(4-methylcyclohexyl)methyl]cyclopropane-1-carboxylic acid
CID 130596408
1-ethyl-4-propylcyclohexane-1-carbonitrile
CID 65425800

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylcyclohexyl)methyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[(4-methylcyclohexyl)methyl]cyclopropane-1-carbonitrile (CID 130596815) is 1-[(4-methylcyclohexyl)methyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[(4-methylcyclohexyl)methyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[(4-methylcyclohexyl)methyl]cyclopropane-1-carbonitrile is CC1CCC(CC2(C#N)CC2)CC1.
What is the InChIKey of 1-[(4-methylcyclohexyl)methyl]cyclopropane-1-carbonitrile?
The InChIKey is AGPPXKPXJUUSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-10-2-4-11(5-3-10)8-12(9-13)6-7-12/h10-11H,2-8H2,1H3.
What are the key properties of 1-[(4-methylcyclohexyl)methyl]cyclopropane-1-carbonitrile?
1-[(4-methylcyclohexyl)methyl]cyclopropane-1-carbonitrile has a molecular weight of 177.29 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylcyclohexyl)methyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 130596815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).