N-cyclohexylcyclohex-2-en-1-amine

C12H21N — CID 11412715

IUPACN-cyclohexylcyclohex-2-en-1-amine
SMILESC1=CC(NC2CCCCC2)CCC1
InChIInChI=1S/C12H21N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h3,7,11-13H,1-2,4-6,8-10H2
InChIKeyKYISLQIGGZFGOI-UHFFFAOYSA-N
MW179.31 g/mol
LogP3.02
Rot. Bonds2

About N-cyclohexylcyclohex-2-en-1-amine

N-cyclohexylcyclohex-2-en-1-amine (PubChem CID 11412715) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is N-cyclohexylcyclohex-2-en-1-amine.

Molecular Properties

Compound NameN-cyclohexylcyclohex-2-en-1-amine
PubChem CID11412715
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC NameN-cyclohexylcyclohex-2-en-1-amine
SMILESC1=CC(NC2CCCCC2)CCC1
InChIInChI=1S/C12H21N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h3,7,11-13H,1-2,4-6,8-10H2
InChIKeyKYISLQIGGZFGOI-UHFFFAOYSA-N
XLogP3.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S,6S)-2,6-diallyl-4-methyl-1,2,3,6-tetrahydropyridinium
CID 16193239
N-(2-cyclopentylideneethyl)cyclohexanamine
CID 23646101
2,6-Diallyl-4-methyl-1,2,3,6-tetrahydropyridine
CID 2859356
(2R,6R)-2-Methyl-6-(1E)-1-propen-1-ylpiperidine
CID 5281689
N-(2-cyclohexylideneethyl)cyclohexanamine
CID 23646103
(R)-(E,E)-2-(1,3-pentadienyl)piperidine
CID 139585096
1-(Cyclohexa-1,4-dien-1-yl)-N-methylpropan-2-amine
CID 57487843
2-Methyl-6-prop-1-enylpiperidine
CID 580067
(2S,6S)-2,6-Diallyl-4-methyl-1,2,3,6-tetrahydropyridine
CID 2063692
2-((Z)-Prop-1-enyl)piperidine
CID 11051649
2-Methyl-6-(prop-2-enyl)piperidine (pinidine)
CID 5320605
Tetrahydrodiphenylamine
CID 13474776

Frequently Asked Questions

What is the IUPAC name of N-cyclohexylcyclohex-2-en-1-amine?
The IUPAC name of N-cyclohexylcyclohex-2-en-1-amine (CID 11412715) is N-cyclohexylcyclohex-2-en-1-amine.
What is the SMILES notation for N-cyclohexylcyclohex-2-en-1-amine?
The canonical SMILES for N-cyclohexylcyclohex-2-en-1-amine is C1=CC(NC2CCCCC2)CCC1.
What is the InChIKey of N-cyclohexylcyclohex-2-en-1-amine?
The InChIKey is KYISLQIGGZFGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h3,7,11-13H,1-2,4-6,8-10H2.
What are the key properties of N-cyclohexylcyclohex-2-en-1-amine?
N-cyclohexylcyclohex-2-en-1-amine has a molecular weight of 179.31 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexylcyclohex-2-en-1-amine is sourced from PubChem (CID 11412715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).