1-[[(2-cyclohexyl-2-methylpropyl)amino]methyl]cyclopropane-1-carbonitrile

C15H26N2 — CID 115242683

IUPAC1-[[(2-cyclohexyl-2-methylpropyl)amino]methyl]cyclopropane-1-carbonitrile
SMILESCC(C)(CNCC1(C#N)CC1)C1CCCCC1
InChIInChI=1S/C15H26N2/c1-14(2,13-6-4-3-5-7-13)11-17-12-15(10-16)8-9-15/h13,17H,3-9,11-12H2,1-2H3
InChIKeyXGTGNRSDGQTSPO-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.49
Rot. Bonds5

About 1-[[(2-cyclohexyl-2-methylpropyl)amino]methyl]cyclopropane-1-carbonitrile

1-[[(2-cyclohexyl-2-methylpropyl)amino]methyl]cyclopropane-1-carbonitrile (PubChem CID 115242683) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 1-[[(2-cyclohexyl-2-methylpropyl)amino]methyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[[(2-cyclohexyl-2-methylpropyl)amino]methyl]cyclopropane-1-carbonitrile
PubChem CID115242683
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name1-[[(2-cyclohexyl-2-methylpropyl)amino]methyl]cyclopropane-1-carbonitrile
SMILESCC(C)(CNCC1(C#N)CC1)C1CCCCC1
InChIInChI=1S/C15H26N2/c1-14(2,13-6-4-3-5-7-13)11-17-12-15(10-16)8-9-15/h13,17H,3-9,11-12H2,1-2H3
InChIKeyXGTGNRSDGQTSPO-UHFFFAOYSA-N
XLogP3.49
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[(2-cyclobutyl-2-methylpropyl)amino]methyl]cyclopropane-1-carbonitrile
CID 115242689
3-[[(2-cyclopentyl-2-methylpropyl)amino]methyl]oxetane-3-carbonitrile
CID 115248258
1-[[(2-cyclohexyl-2-methylpropyl)amino]methyl]cyclopropan-1-amine
CID 115257163
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-cyclobutyl-2-methylpropan-1-amine
CID 115244471
2-[(2-cyclohexyl-2-methylpropyl)amino]acetaldehyde
CID 115223611
2-[(2-cyclohexyl-2-methylpropyl)amino]ethanol
CID 115216597
1-[(3,3-dimethylbutylamino)methyl]cyclopropane-1-carbonitrile
CID 115242448
1-N-(2-cyclopentyl-2-methylpropyl)-2-methylpropane-1,2-diamine
CID 115136380
1-[(3,3-dimethylbutylamino)methyl]cyclobutane-1-carbonitrile
CID 115245405
1-cyano-N-(2-cyclobutyl-2-methylpropyl)cyclopropane-1-carboxamide
CID 115181795
N'-(2-cyclopentyl-2-methylpropyl)-2,2-dimethylpropane-1,3-diamine
CID 115200319
3-cyano-N-(2-cyclohexyl-2-methylpropyl)oxetane-3-carboxamide
CID 115184886

Frequently Asked Questions

What is the IUPAC name of 1-[[(2-cyclohexyl-2-methylpropyl)amino]methyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[[(2-cyclohexyl-2-methylpropyl)amino]methyl]cyclopropane-1-carbonitrile (CID 115242683) is 1-[[(2-cyclohexyl-2-methylpropyl)amino]methyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[[(2-cyclohexyl-2-methylpropyl)amino]methyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[[(2-cyclohexyl-2-methylpropyl)amino]methyl]cyclopropane-1-carbonitrile is CC(C)(CNCC1(C#N)CC1)C1CCCCC1.
What is the InChIKey of 1-[[(2-cyclohexyl-2-methylpropyl)amino]methyl]cyclopropane-1-carbonitrile?
The InChIKey is XGTGNRSDGQTSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-14(2,13-6-4-3-5-7-13)11-17-12-15(10-16)8-9-15/h13,17H,3-9,11-12H2,1-2H3.
What are the key properties of 1-[[(2-cyclohexyl-2-methylpropyl)amino]methyl]cyclopropane-1-carbonitrile?
1-[[(2-cyclohexyl-2-methylpropyl)amino]methyl]cyclopropane-1-carbonitrile has a molecular weight of 234.39 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-cyclohexyl-2-methylpropyl)amino]methyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 115242683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).