2-(prop-2-enylamino)cyclohexane-1-carbonitrile

C10H16N2 — CID 62743491

IUPAC2-(prop-2-enylamino)cyclohexane-1-carbonitrile
SMILESC=CCNC1CCCCC1C#N
InChIInChI=1S/C10H16N2/c1-2-7-12-10-6-4-3-5-9(10)8-11/h2,9-10,12H,1,3-7H2
InChIKeyPJYRZNGATFCSPX-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.84
Rot. Bonds3

About 2-(prop-2-enylamino)cyclohexane-1-carbonitrile

2-(prop-2-enylamino)cyclohexane-1-carbonitrile (PubChem CID 62743491) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 2-(prop-2-enylamino)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-(prop-2-enylamino)cyclohexane-1-carbonitrile
PubChem CID62743491
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name2-(prop-2-enylamino)cyclohexane-1-carbonitrile
SMILESC=CCNC1CCCCC1C#N
InChIInChI=1S/C10H16N2/c1-2-7-12-10-6-4-3-5-9(10)8-11/h2,9-10,12H,1,3-7H2
InChIKeyPJYRZNGATFCSPX-UHFFFAOYSA-N
XLogP1.84
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[[(E)-3-chloroprop-2-enyl]amino]cyclopentane-1-carbonitrile
CID 131232100
2-(cyclopropylmethylamino)cyclohexane-1-carbonitrile
CID 62742568
2-[(2-cyanocyclohexyl)amino]acetamide
CID 62741855
2-(2-hydroxyethylamino)cycloheptane-1-carbonitrile
CID 62741123
2-(2-aminoethylamino)cycloheptane-1-carbonitrile
CID 62742996
2-ethyl-N-prop-2-enylcyclohexan-1-amine
CID 62142413
2-(2,2,2-trifluoroethylamino)cyclopentane-1-carbonitrile
CID 62742040
2-(2-methylpropylamino)cyclopentane-1-carbonitrile
CID 62742196
2-[(2-cyanocyclohexyl)amino]-N-propan-2-ylacetamide
CID 62742043
2-[3-(diethylamino)propylamino]cyclohexane-1-carbonitrile
CID 62741850
2-[(3-methyl-2-propan-2-ylbutyl)amino]cycloheptane-1-carbonitrile
CID 102905558
2-(2-hydroxypropylamino)cycloheptane-1-carbonitrile
CID 62741297

Frequently Asked Questions

What is the IUPAC name of 2-(prop-2-enylamino)cyclohexane-1-carbonitrile?
The IUPAC name of 2-(prop-2-enylamino)cyclohexane-1-carbonitrile (CID 62743491) is 2-(prop-2-enylamino)cyclohexane-1-carbonitrile.
What is the SMILES notation for 2-(prop-2-enylamino)cyclohexane-1-carbonitrile?
The canonical SMILES for 2-(prop-2-enylamino)cyclohexane-1-carbonitrile is C=CCNC1CCCCC1C#N.
What is the InChIKey of 2-(prop-2-enylamino)cyclohexane-1-carbonitrile?
The InChIKey is PJYRZNGATFCSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-2-7-12-10-6-4-3-5-9(10)8-11/h2,9-10,12H,1,3-7H2.
What are the key properties of 2-(prop-2-enylamino)cyclohexane-1-carbonitrile?
2-(prop-2-enylamino)cyclohexane-1-carbonitrile has a molecular weight of 164.25 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-enylamino)cyclohexane-1-carbonitrile is sourced from PubChem (CID 62743491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).