1-(cyclopentylamino)-2,5-dimethylcyclohexane-1-carbonitrile

C14H24N2 — CID 64755960

IUPAC1-(cyclopentylamino)-2,5-dimethylcyclohexane-1-carbonitrile
SMILESCC1CCC(C)C(C#N)(NC2CCCC2)C1
InChIInChI=1S/C14H24N2/c1-11-7-8-12(2)14(9-11,10-15)16-13-5-3-4-6-13/h11-13,16H,3-9H2,1-2H3
InChIKeyJQWQICHZRQLPDI-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.24
Rot. Bonds2

About 1-(cyclopentylamino)-2,5-dimethylcyclohexane-1-carbonitrile

1-(cyclopentylamino)-2,5-dimethylcyclohexane-1-carbonitrile (PubChem CID 64755960) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 1-(cyclopentylamino)-2,5-dimethylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(cyclopentylamino)-2,5-dimethylcyclohexane-1-carbonitrile
PubChem CID64755960
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name1-(cyclopentylamino)-2,5-dimethylcyclohexane-1-carbonitrile
SMILESCC1CCC(C)C(C#N)(NC2CCCC2)C1
InChIInChI=1S/C14H24N2/c1-11-7-8-12(2)14(9-11,10-15)16-13-5-3-4-6-13/h11-13,16H,3-9H2,1-2H3
InChIKeyJQWQICHZRQLPDI-UHFFFAOYSA-N
XLogP3.24
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclopentylamino)-2,3-dimethylcyclohexane-1-carbonitrile
CID 64755958
3-(cyclopentylamino)-2-methylthiane-3-carbonitrile
CID 79951745
[1-(cyclopentylamino)-2,5-dimethylcyclohexyl]methanol
CID 64754824
2-methyl-1-(methylamino)cyclohexane-1-carbonitrile
CID 43115025
1-(cyclopentylamino)cyclopentane-1-carbonitrile
CID 28702667
2,5-dimethyl-1-(3-methylanilino)cyclohexane-1-carbonitrile
CID 64756564
1-(cycloheptylamino)-3,3,5-trimethylcyclohexane-1-carbonitrile
CID 63467066
1-(1-hydroxy-2,5-dimethylcyclohexyl)cyclobutane-1-carbonitrile
CID 79131972
1-(cycloheptylamino)cyclooctane-1-carbonitrile
CID 54894299
3-(cyclohexylamino)-5-methylthiolane-3-carbonitrile
CID 79950472
methyl 1-(cyclopentylamino)-3-methylcyclopentane-1-carboxylate
CID 64513580
4-(cycloheptylamino)-1-azabicyclo[3.2.1]octane-4-carbonitrile
CID 105365366

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylamino)-2,5-dimethylcyclohexane-1-carbonitrile?
The IUPAC name of 1-(cyclopentylamino)-2,5-dimethylcyclohexane-1-carbonitrile (CID 64755960) is 1-(cyclopentylamino)-2,5-dimethylcyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(cyclopentylamino)-2,5-dimethylcyclohexane-1-carbonitrile?
The canonical SMILES for 1-(cyclopentylamino)-2,5-dimethylcyclohexane-1-carbonitrile is CC1CCC(C)C(C#N)(NC2CCCC2)C1.
What is the InChIKey of 1-(cyclopentylamino)-2,5-dimethylcyclohexane-1-carbonitrile?
The InChIKey is JQWQICHZRQLPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-11-7-8-12(2)14(9-11,10-15)16-13-5-3-4-6-13/h11-13,16H,3-9H2,1-2H3.
What are the key properties of 1-(cyclopentylamino)-2,5-dimethylcyclohexane-1-carbonitrile?
1-(cyclopentylamino)-2,5-dimethylcyclohexane-1-carbonitrile has a molecular weight of 220.36 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylamino)-2,5-dimethylcyclohexane-1-carbonitrile is sourced from PubChem (CID 64755960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).