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

C11H17F3N2 — CID 64758428

IUPAC1-(propylamino)-3-(trifluoromethyl)cyclohexane-1-carbonitrile
SMILESCCCNC1(C#N)CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H17F3N2/c1-2-6-16-10(8-15)5-3-4-9(7-10)11(12,13)14/h9,16H,2-7H2,1H3
InChIKeyRNGQOYIONAINIQ-UHFFFAOYSA-N
MW234.26 g/mol
LogP3.00
Rot. Bonds3

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

1-(propylamino)-3-(trifluoromethyl)cyclohexane-1-carbonitrile (PubChem CID 64758428) has the molecular formula C11H17F3N2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 1-(propylamino)-3-(trifluoromethyl)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(propylamino)-3-(trifluoromethyl)cyclohexane-1-carbonitrile
PubChem CID64758428
Molecular FormulaC11H17F3N2
Molecular Weight234.26 g/mol
Exact Mass234.13
IUPAC Name1-(propylamino)-3-(trifluoromethyl)cyclohexane-1-carbonitrile
SMILESCCCNC1(C#N)CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H17F3N2/c1-2-6-16-10(8-15)5-3-4-9(7-10)11(12,13)14/h9,16H,2-7H2,1H3
InChIKeyRNGQOYIONAINIQ-UHFFFAOYSA-N
XLogP3.00
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-cyclopropylpiperazin-1-yl)-1-(propylamino)cyclohexane-1-carbonitrile
CID 79627197
3-[cyclopropyl(ethyl)amino]-1-(propylamino)cyclohexane-1-carbonitrile
CID 79626086
3-methyl-1-(propylamino)cyclopentane-1-carbonitrile
CID 64500336
1-(propylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carbonitrile
CID 79639106
3-[butyl(methyl)amino]-1-(propylamino)cyclohexane-1-carbonitrile
CID 79625630
1-(propylamino)cyclopropane-1-carbonitrile
CID 103439401
1-(propylamino)-3-pyrimidin-2-ylsulfanylcyclohexane-1-carbonitrile
CID 79636245
3-[methyl(3,3,3-trifluoropropyl)amino]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79638442
3-(2,4-dimethylphenyl)sulfanyl-1-(propylamino)cyclohexane-1-carbonitrile
CID 79627940
3-(2-methoxyethylsulfanyl)-1-(propylamino)cyclohexane-1-carbonitrile
CID 79636236
3-(3-methylpiperidin-1-yl)-1-(propylamino)cyclohexane-1-carbonitrile
CID 79625038
3-(oxolan-3-yloxy)-1-(propylamino)cyclohexane-1-carbonitrile
CID 103727912

Frequently Asked Questions

What is the IUPAC name of 1-(propylamino)-3-(trifluoromethyl)cyclohexane-1-carbonitrile?
The IUPAC name of 1-(propylamino)-3-(trifluoromethyl)cyclohexane-1-carbonitrile (CID 64758428) is 1-(propylamino)-3-(trifluoromethyl)cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(propylamino)-3-(trifluoromethyl)cyclohexane-1-carbonitrile?
The canonical SMILES for 1-(propylamino)-3-(trifluoromethyl)cyclohexane-1-carbonitrile is CCCNC1(C#N)CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-(propylamino)-3-(trifluoromethyl)cyclohexane-1-carbonitrile?
The InChIKey is RNGQOYIONAINIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2/c1-2-6-16-10(8-15)5-3-4-9(7-10)11(12,13)14/h9,16H,2-7H2,1H3.
What are the key properties of 1-(propylamino)-3-(trifluoromethyl)cyclohexane-1-carbonitrile?
1-(propylamino)-3-(trifluoromethyl)cyclohexane-1-carbonitrile has a molecular weight of 234.26 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propylamino)-3-(trifluoromethyl)cyclohexane-1-carbonitrile is sourced from PubChem (CID 64758428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).