1-(cyclopropylamino)-3-(3,3,3-trifluoropropoxy)cyclohexane-1-carbonitrile

C13H19F3N2O — CID 82956736

IUPAC1-(cyclopropylamino)-3-(3,3,3-trifluoropropoxy)cyclohexane-1-carbonitrile
SMILESN#CC1(NC2CC2)CCCC(OCCC(F)(F)F)C1
InChIInChI=1S/C13H19F3N2O/c14-13(15,16)6-7-19-11-2-1-5-12(8-11,9-17)18-10-3-4-10/h10-11,18H,1-8H2
InChIKeyFTEAJXZITLQZFS-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.91
Rot. Bonds5

About 1-(cyclopropylamino)-3-(3,3,3-trifluoropropoxy)cyclohexane-1-carbonitrile

1-(cyclopropylamino)-3-(3,3,3-trifluoropropoxy)cyclohexane-1-carbonitrile (PubChem CID 82956736) has the molecular formula C13H19F3N2O and a molecular weight of 276.30 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-(3,3,3-trifluoropropoxy)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-(3,3,3-trifluoropropoxy)cyclohexane-1-carbonitrile
PubChem CID82956736
Molecular FormulaC13H19F3N2O
Molecular Weight276.30 g/mol
Exact Mass276.14
IUPAC Name1-(cyclopropylamino)-3-(3,3,3-trifluoropropoxy)cyclohexane-1-carbonitrile
SMILESN#CC1(NC2CC2)CCCC(OCCC(F)(F)F)C1
InChIInChI=1S/C13H19F3N2O/c14-13(15,16)6-7-19-11-2-1-5-12(8-11,9-17)18-10-3-4-10/h10-11,18H,1-8H2
InChIKeyFTEAJXZITLQZFS-UHFFFAOYSA-N
XLogP2.91
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropylamino)-3-(3,3-dimethylbutoxy)cyclopentane-1-carbonitrile
CID 79649738
1-(cyclopropylamino)-3-(3-methoxypropoxy)cyclohexane-1-carbonitrile
CID 79625448
1-(cyclopropylamino)-3-[2-(2-methoxyethoxy)ethoxy]cyclohexane-1-carbonitrile
CID 104564891
[1-(cyclopropylamino)-3-(3,3,3-trifluoropropoxy)cyclohexyl]methanol
CID 82957194
1-(cyclopropylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexane-1-carbonitrile
CID 79637002
1-(cyclopropylamino)-3-[(2-methylpropan-2-yl)oxy]cyclohexane-1-carbonitrile
CID 79625232
1-(propan-2-ylamino)-3-(4,4,4-trifluorobutoxy)cyclopentane-1-carbonitrile
CID 82789002
1-(cyclopropylamino)-3-(oxolan-3-ylmethoxy)cyclohexane-1-carbonitrile
CID 79636998
3-(cyclohexylmethoxy)-1-(cyclopropylamino)cyclopentane-1-carbonitrile
CID 79650525
1-(cyclopropylamino)-3-[4-(hydroxymethyl)phenoxy]cyclohexane-1-carbonitrile
CID 79626729
3-(2-ethoxyethoxy)-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 79625305
1-(cyclopropylamino)-3-(3-methylcyclohexyl)oxycyclohexane-1-carbonitrile
CID 79625528

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-(3,3,3-trifluoropropoxy)cyclohexane-1-carbonitrile?
The IUPAC name of 1-(cyclopropylamino)-3-(3,3,3-trifluoropropoxy)cyclohexane-1-carbonitrile (CID 82956736) is 1-(cyclopropylamino)-3-(3,3,3-trifluoropropoxy)cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(cyclopropylamino)-3-(3,3,3-trifluoropropoxy)cyclohexane-1-carbonitrile?
The canonical SMILES for 1-(cyclopropylamino)-3-(3,3,3-trifluoropropoxy)cyclohexane-1-carbonitrile is N#CC1(NC2CC2)CCCC(OCCC(F)(F)F)C1.
What is the InChIKey of 1-(cyclopropylamino)-3-(3,3,3-trifluoropropoxy)cyclohexane-1-carbonitrile?
The InChIKey is FTEAJXZITLQZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O/c14-13(15,16)6-7-19-11-2-1-5-12(8-11,9-17)18-10-3-4-10/h10-11,18H,1-8H2.
What are the key properties of 1-(cyclopropylamino)-3-(3,3,3-trifluoropropoxy)cyclohexane-1-carbonitrile?
1-(cyclopropylamino)-3-(3,3,3-trifluoropropoxy)cyclohexane-1-carbonitrile has a molecular weight of 276.30 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-(3,3,3-trifluoropropoxy)cyclohexane-1-carbonitrile is sourced from PubChem (CID 82956736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).