1-(cycloheptylamino)-3,3,5-trimethylcyclohexane-1-carbonitrile

C17H30N2 — CID 63467066

IUPAC1-(cycloheptylamino)-3,3,5-trimethylcyclohexane-1-carbonitrile
SMILESCC1CC(C)(C)CC(C#N)(NC2CCCCCC2)C1
InChIInChI=1S/C17H30N2/c1-14-10-16(2,3)12-17(11-14,13-18)19-15-8-6-4-5-7-9-15/h14-15,19H,4-12H2,1-3H3
InChIKeyKQKFVEYXHOXZAW-UHFFFAOYSA-N
MW262.44 g/mol
LogP4.41
Rot. Bonds2

About 1-(cycloheptylamino)-3,3,5-trimethylcyclohexane-1-carbonitrile

1-(cycloheptylamino)-3,3,5-trimethylcyclohexane-1-carbonitrile (PubChem CID 63467066) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 1-(cycloheptylamino)-3,3,5-trimethylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(cycloheptylamino)-3,3,5-trimethylcyclohexane-1-carbonitrile
PubChem CID63467066
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name1-(cycloheptylamino)-3,3,5-trimethylcyclohexane-1-carbonitrile
SMILESCC1CC(C)(C)CC(C#N)(NC2CCCCCC2)C1
InChIInChI=1S/C17H30N2/c1-14-10-16(2,3)12-17(11-14,13-18)19-15-8-6-4-5-7-9-15/h14-15,19H,4-12H2,1-3H3
InChIKeyKQKFVEYXHOXZAW-UHFFFAOYSA-N
XLogP4.41
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cycloheptylamino)-3,3,5-trimethylcyclohexane-1-carbonitrile?
The IUPAC name of 1-(cycloheptylamino)-3,3,5-trimethylcyclohexane-1-carbonitrile (CID 63467066) is 1-(cycloheptylamino)-3,3,5-trimethylcyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(cycloheptylamino)-3,3,5-trimethylcyclohexane-1-carbonitrile?
The canonical SMILES for 1-(cycloheptylamino)-3,3,5-trimethylcyclohexane-1-carbonitrile is CC1CC(C)(C)CC(C#N)(NC2CCCCCC2)C1.
What is the InChIKey of 1-(cycloheptylamino)-3,3,5-trimethylcyclohexane-1-carbonitrile?
The InChIKey is KQKFVEYXHOXZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-14-10-16(2,3)12-17(11-14,13-18)19-15-8-6-4-5-7-9-15/h14-15,19H,4-12H2,1-3H3.
What are the key properties of 1-(cycloheptylamino)-3,3,5-trimethylcyclohexane-1-carbonitrile?
1-(cycloheptylamino)-3,3,5-trimethylcyclohexane-1-carbonitrile has a molecular weight of 262.44 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cycloheptylamino)-3,3,5-trimethylcyclohexane-1-carbonitrile is sourced from PubChem (CID 63467066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).