2-[(4-propylcyclohexyl)amino]cycloheptane-1-carbonitrile

C17H30N2 — CID 62741345

IUPAC2-[(4-propylcyclohexyl)amino]cycloheptane-1-carbonitrile
SMILESCCCC1CCC(NC2CCCCCC2C#N)CC1
InChIInChI=1S/C17H30N2/c1-2-6-14-9-11-16(12-10-14)19-17-8-5-3-4-7-15(17)13-18/h14-17,19H,2-12H2,1H3
InChIKeyMMYREZHXXQESDR-UHFFFAOYSA-N
MW262.44 g/mol
LogP4.41
Rot. Bonds4

About 2-[(4-propylcyclohexyl)amino]cycloheptane-1-carbonitrile

2-[(4-propylcyclohexyl)amino]cycloheptane-1-carbonitrile (PubChem CID 62741345) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 2-[(4-propylcyclohexyl)amino]cycloheptane-1-carbonitrile.

Molecular Properties

Compound Name2-[(4-propylcyclohexyl)amino]cycloheptane-1-carbonitrile
PubChem CID62741345
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name2-[(4-propylcyclohexyl)amino]cycloheptane-1-carbonitrile
SMILESCCCC1CCC(NC2CCCCCC2C#N)CC1
InChIInChI=1S/C17H30N2/c1-2-6-14-9-11-16(12-10-14)19-17-8-5-3-4-7-15(17)13-18/h14-17,19H,2-12H2,1H3
InChIKeyMMYREZHXXQESDR-UHFFFAOYSA-N
XLogP4.41
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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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Related Compounds

2-(cyclopentylamino)cyclopentane-1-carbonitrile
CID 62742199
2-[(3,4-dimethylcyclohexyl)amino]cycloheptane-1-carbonitrile
CID 64741304
2-(3-ethylpentan-3-ylamino)cycloheptane-1-carbonitrile
CID 65039485
N-cyclobutyl-4-propylcycloheptan-1-amine
CID 65091278
N-(4-propylcyclohexyl)-2-pyrrolidin-2-ylcyclohexan-1-amine
CID 79536701
2-(cyclopropylmethylamino)cyclohexane-1-carbonitrile
CID 62742568
1-(2-cyclohexylethyl)-4-[2-(4-propylcyclohexyl)ethyl]cyclohexane
CID 70430254
propylcyclotetradecane
CID 90991550
2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopentane-1-carbonitrile
CID 62960937
2-[(1,1-dioxothiolan-3-yl)amino]cycloheptane-1-carbonitrile
CID 62743497
1-butyl-4-propylcyclononane
CID 123467552
formonitrile;propylcyclohexane
CID 174902049

Frequently Asked Questions

What is the IUPAC name of 2-[(4-propylcyclohexyl)amino]cycloheptane-1-carbonitrile?
The IUPAC name of 2-[(4-propylcyclohexyl)amino]cycloheptane-1-carbonitrile (CID 62741345) is 2-[(4-propylcyclohexyl)amino]cycloheptane-1-carbonitrile.
What is the SMILES notation for 2-[(4-propylcyclohexyl)amino]cycloheptane-1-carbonitrile?
The canonical SMILES for 2-[(4-propylcyclohexyl)amino]cycloheptane-1-carbonitrile is CCCC1CCC(NC2CCCCCC2C#N)CC1.
What is the InChIKey of 2-[(4-propylcyclohexyl)amino]cycloheptane-1-carbonitrile?
The InChIKey is MMYREZHXXQESDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-2-6-14-9-11-16(12-10-14)19-17-8-5-3-4-7-15(17)13-18/h14-17,19H,2-12H2,1H3.
What are the key properties of 2-[(4-propylcyclohexyl)amino]cycloheptane-1-carbonitrile?
2-[(4-propylcyclohexyl)amino]cycloheptane-1-carbonitrile has a molecular weight of 262.44 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-propylcyclohexyl)amino]cycloheptane-1-carbonitrile is sourced from PubChem (CID 62741345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).