3,5-dimethyl-1-(2-methylpropylamino)cyclohexane-1-carbonitrile

C13H24N2 — CID 64750710

IUPAC3,5-dimethyl-1-(2-methylpropylamino)cyclohexane-1-carbonitrile
SMILESCC(C)CNC1(C#N)CC(C)CC(C)C1
InChIInChI=1S/C13H24N2/c1-10(2)8-15-13(9-14)6-11(3)5-12(4)7-13/h10-12,15H,5-8H2,1-4H3
InChIKeyQPJQPEYMXHCKTL-UHFFFAOYSA-N
MW208.35 g/mol
LogP2.95
Rot. Bonds3

About 3,5-dimethyl-1-(2-methylpropylamino)cyclohexane-1-carbonitrile

3,5-dimethyl-1-(2-methylpropylamino)cyclohexane-1-carbonitrile (PubChem CID 64750710) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 3,5-dimethyl-1-(2-methylpropylamino)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name3,5-dimethyl-1-(2-methylpropylamino)cyclohexane-1-carbonitrile
PubChem CID64750710
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name3,5-dimethyl-1-(2-methylpropylamino)cyclohexane-1-carbonitrile
SMILESCC(C)CNC1(C#N)CC(C)CC(C)C1
InChIInChI=1S/C13H24N2/c1-10(2)8-15-13(9-14)6-11(3)5-12(4)7-13/h10-12,15H,5-8H2,1-4H3
InChIKeyQPJQPEYMXHCKTL-UHFFFAOYSA-N
XLogP2.95
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-(2-methylpropylamino)cyclobutane-1-carbonitrile
CID 103563267
3-ethoxy-1-(2-methylpropylamino)cyclobutane-1-carbonitrile
CID 106822413
1-methyl-3-(2-methylpropylamino)pyrrolidine-3-carbonitrile
CID 62976756
3-methyl-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 43151562
3,5-dimethyl-1-[(2-methylpropylamino)methyl]cyclohexan-1-ol
CID 64735795
cis-(3S,5R)-1,3,5-trimethylcyclohexane-1-carbonitrile
CID 59970295
3-methyl-1-(propylamino)cyclopentane-1-carbonitrile
CID 64500336
N-(2-methylpropyl)bicyclo[1.1.1]pentan-1-amine
CID 140933832
3-propan-2-yl-1-(prop-2-enylamino)cyclobutane-1-carbonitrile
CID 103563357
1-(2-bromoanilino)-3,5-dimethylcyclohexane-1-carbonitrile
CID 64751479
3-(3,5-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79639233
3-methyl-1-(2-methylpropylamino)cyclopentane-1-carboxylic acid
CID 64516179

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(2-methylpropylamino)cyclohexane-1-carbonitrile?
The IUPAC name of 3,5-dimethyl-1-(2-methylpropylamino)cyclohexane-1-carbonitrile (CID 64750710) is 3,5-dimethyl-1-(2-methylpropylamino)cyclohexane-1-carbonitrile.
What is the SMILES notation for 3,5-dimethyl-1-(2-methylpropylamino)cyclohexane-1-carbonitrile?
The canonical SMILES for 3,5-dimethyl-1-(2-methylpropylamino)cyclohexane-1-carbonitrile is CC(C)CNC1(C#N)CC(C)CC(C)C1.
What is the InChIKey of 3,5-dimethyl-1-(2-methylpropylamino)cyclohexane-1-carbonitrile?
The InChIKey is QPJQPEYMXHCKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-10(2)8-15-13(9-14)6-11(3)5-12(4)7-13/h10-12,15H,5-8H2,1-4H3.
What are the key properties of 3,5-dimethyl-1-(2-methylpropylamino)cyclohexane-1-carbonitrile?
3,5-dimethyl-1-(2-methylpropylamino)cyclohexane-1-carbonitrile has a molecular weight of 208.35 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-(2-methylpropylamino)cyclohexane-1-carbonitrile is sourced from PubChem (CID 64750710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).