1-(cyclopentylamino)-2,3-dimethylcyclohexane-1-carbonitrile

C14H24N2 — CID 64755958

IUPAC1-(cyclopentylamino)-2,3-dimethylcyclohexane-1-carbonitrile
SMILESCC1CCCC(C#N)(NC2CCCC2)C1C
InChIInChI=1S/C14H24N2/c1-11-6-5-9-14(10-15,12(11)2)16-13-7-3-4-8-13/h11-13,16H,3-9H2,1-2H3
InChIKeySLRGVWXUZDTPPG-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.24
Rot. Bonds2

About 1-(cyclopentylamino)-2,3-dimethylcyclohexane-1-carbonitrile

1-(cyclopentylamino)-2,3-dimethylcyclohexane-1-carbonitrile (PubChem CID 64755958) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 1-(cyclopentylamino)-2,3-dimethylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(cyclopentylamino)-2,3-dimethylcyclohexane-1-carbonitrile
PubChem CID64755958
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name1-(cyclopentylamino)-2,3-dimethylcyclohexane-1-carbonitrile
SMILESCC1CCCC(C#N)(NC2CCCC2)C1C
InChIInChI=1S/C14H24N2/c1-11-6-5-9-14(10-15,12(11)2)16-13-7-3-4-8-13/h11-13,16H,3-9H2,1-2H3
InChIKeySLRGVWXUZDTPPG-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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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylamino)-2,3-dimethylcyclohexane-1-carbonitrile?
The IUPAC name of 1-(cyclopentylamino)-2,3-dimethylcyclohexane-1-carbonitrile (CID 64755958) is 1-(cyclopentylamino)-2,3-dimethylcyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(cyclopentylamino)-2,3-dimethylcyclohexane-1-carbonitrile?
The canonical SMILES for 1-(cyclopentylamino)-2,3-dimethylcyclohexane-1-carbonitrile is CC1CCCC(C#N)(NC2CCCC2)C1C.
What is the InChIKey of 1-(cyclopentylamino)-2,3-dimethylcyclohexane-1-carbonitrile?
The InChIKey is SLRGVWXUZDTPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-11-6-5-9-14(10-15,12(11)2)16-13-7-3-4-8-13/h11-13,16H,3-9H2,1-2H3.
What are the key properties of 1-(cyclopentylamino)-2,3-dimethylcyclohexane-1-carbonitrile?
1-(cyclopentylamino)-2,3-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)-2,3-dimethylcyclohexane-1-carbonitrile is sourced from PubChem (CID 64755958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).