3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(cyclopropylamino)cyclohexane-1-carbonitrile

C16H25N3 — CID 79626027

IUPAC3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(cyclopropylamino)cyclohexane-1-carbonitrile
SMILESN#CC1(NC2CC2)CCCC(N2CC3CCC2C3)C1
InChIInChI=1S/C16H25N3/c17-11-16(18-13-4-5-13)7-1-2-15(9-16)19-10-12-3-6-14(19)8-12/h12-15,18H,1-10H2
InChIKeyKTZYVQJDRBDOIQ-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.43
Rot. Bonds3

About 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(cyclopropylamino)cyclohexane-1-carbonitrile

3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(cyclopropylamino)cyclohexane-1-carbonitrile (PubChem CID 79626027) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(cyclopropylamino)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(cyclopropylamino)cyclohexane-1-carbonitrile
PubChem CID79626027
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(cyclopropylamino)cyclohexane-1-carbonitrile
SMILESN#CC1(NC2CC2)CCCC(N2CC3CCC2C3)C1
InChIInChI=1S/C16H25N3/c17-11-16(18-13-4-5-13)7-1-2-15(9-16)19-10-12-3-6-14(19)8-12/h12-15,18H,1-10H2
InChIKeyKTZYVQJDRBDOIQ-UHFFFAOYSA-N
XLogP2.43
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropylamino)-3-(2,4-dimethylpiperidin-1-yl)cyclohexane-1-carbonitrile
CID 79625352
1-(cyclopropylamino)-3-(4,4-dimethylazepan-1-yl)cyclohexane-1-carbonitrile
CID 79628418
1-(cyclopropylamino)-3-(3,3-dimethylpiperidin-1-yl)cyclohexane-1-carbonitrile
CID 79625967
1-(cyclopropylamino)-3-(4-propan-2-ylpiperazin-1-yl)cyclohexane-1-carbonitrile
CID 79626679
1-(cyclopropylamino)-3-piperidin-1-ylcyclopentane-1-carbonitrile
CID 79639135
1-(cyclopropylamino)-3-(3,3,4-trimethylpiperazin-1-yl)cyclohexane-1-carbonitrile
CID 79627045
3-(4-chloro-3-methylpyrazol-1-yl)-1-(cyclopropylamino)cyclohexane-1-carbonitrile
CID 79625016
1-(cyclopropylamino)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)cyclohexane-1-carbonitrile
CID 79625010
1-(cyclopropylamino)-3-(3,4,5-trimethylpyrazol-1-yl)cyclohexane-1-carbonitrile
CID 79625076
1-(cyclopropylamino)cyclohexane-1-carbonitrile
CID 28702726
1-(cyclopropylamino)-3-(3,4-dimethoxypyrrolidin-1-yl)cyclopentane-1-carbonitrile
CID 103537863
1-(cyclopropylamino)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]cyclopentane-1-carbonitrile
CID 104960154

Frequently Asked Questions

What is the IUPAC name of 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(cyclopropylamino)cyclohexane-1-carbonitrile?
The IUPAC name of 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(cyclopropylamino)cyclohexane-1-carbonitrile (CID 79626027) is 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(cyclopropylamino)cyclohexane-1-carbonitrile.
What is the SMILES notation for 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(cyclopropylamino)cyclohexane-1-carbonitrile?
The canonical SMILES for 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(cyclopropylamino)cyclohexane-1-carbonitrile is N#CC1(NC2CC2)CCCC(N2CC3CCC2C3)C1.
What is the InChIKey of 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(cyclopropylamino)cyclohexane-1-carbonitrile?
The InChIKey is KTZYVQJDRBDOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c17-11-16(18-13-4-5-13)7-1-2-15(9-16)19-10-12-3-6-14(19)8-12/h12-15,18H,1-10H2.
What are the key properties of 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(cyclopropylamino)cyclohexane-1-carbonitrile?
3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(cyclopropylamino)cyclohexane-1-carbonitrile has a molecular weight of 259.40 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(cyclopropylamino)cyclohexane-1-carbonitrile is sourced from PubChem (CID 79626027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).