1-(cycloheptylamino)-3-(trifluoromethyl)cyclohexane-1-carbonitrile

C15H23F3N2 — CID 64759251

IUPAC1-(cycloheptylamino)-3-(trifluoromethyl)cyclohexane-1-carbonitrile
SMILESN#CC1(NC2CCCCCC2)CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H23F3N2/c16-15(17,18)12-6-5-9-14(10-12,11-19)20-13-7-3-1-2-4-8-13/h12-13,20H,1-10H2
InChIKeySFNJNAAEANPIJI-UHFFFAOYSA-N
MW288.36 g/mol
LogP4.31
Rot. Bonds2

About 1-(cycloheptylamino)-3-(trifluoromethyl)cyclohexane-1-carbonitrile

1-(cycloheptylamino)-3-(trifluoromethyl)cyclohexane-1-carbonitrile (PubChem CID 64759251) has the molecular formula C15H23F3N2 and a molecular weight of 288.36 g/mol. Its IUPAC name is 1-(cycloheptylamino)-3-(trifluoromethyl)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(cycloheptylamino)-3-(trifluoromethyl)cyclohexane-1-carbonitrile
PubChem CID64759251
Molecular FormulaC15H23F3N2
Molecular Weight288.36 g/mol
Exact Mass288.18
IUPAC Name1-(cycloheptylamino)-3-(trifluoromethyl)cyclohexane-1-carbonitrile
SMILESN#CC1(NC2CCCCCC2)CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H23F3N2/c16-15(17,18)12-6-5-9-14(10-12,11-19)20-13-7-3-1-2-4-8-13/h12-13,20H,1-10H2
InChIKeySFNJNAAEANPIJI-UHFFFAOYSA-N
XLogP4.31
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cycloheptylamino)-3-(trifluoromethyl)cyclohexane-1-carbonitrile?
The IUPAC name of 1-(cycloheptylamino)-3-(trifluoromethyl)cyclohexane-1-carbonitrile (CID 64759251) is 1-(cycloheptylamino)-3-(trifluoromethyl)cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(cycloheptylamino)-3-(trifluoromethyl)cyclohexane-1-carbonitrile?
The canonical SMILES for 1-(cycloheptylamino)-3-(trifluoromethyl)cyclohexane-1-carbonitrile is N#CC1(NC2CCCCCC2)CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-(cycloheptylamino)-3-(trifluoromethyl)cyclohexane-1-carbonitrile?
The InChIKey is SFNJNAAEANPIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2/c16-15(17,18)12-6-5-9-14(10-12,11-19)20-13-7-3-1-2-4-8-13/h12-13,20H,1-10H2.
What are the key properties of 1-(cycloheptylamino)-3-(trifluoromethyl)cyclohexane-1-carbonitrile?
1-(cycloheptylamino)-3-(trifluoromethyl)cyclohexane-1-carbonitrile has a molecular weight of 288.36 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cycloheptylamino)-3-(trifluoromethyl)cyclohexane-1-carbonitrile is sourced from PubChem (CID 64759251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).