N-cyclohexylcyclohexen-1-amine

C12H21N — CID 15273101

IUPACN-cyclohexylcyclohexen-1-amine
SMILESC1=C(NC2CCCCC2)CCCC1
InChIInChI=1S/C12H21N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h7,12-13H,1-6,8-10H2
InChIKeyYXTKJSIWWJBAKZ-UHFFFAOYSA-N
MW179.31 g/mol
LogP3.37
Rot. Bonds2

About N-cyclohexylcyclohexen-1-amine

N-cyclohexylcyclohexen-1-amine (PubChem CID 15273101) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is N-cyclohexylcyclohexen-1-amine.

Molecular Properties

Compound NameN-cyclohexylcyclohexen-1-amine
PubChem CID15273101
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC NameN-cyclohexylcyclohexen-1-amine
SMILESC1=C(NC2CCCCC2)CCCC1
InChIInChI=1S/C12H21N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h7,12-13H,1-6,8-10H2
InChIKeyYXTKJSIWWJBAKZ-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexylcyclohexen-1-amine?
The IUPAC name of N-cyclohexylcyclohexen-1-amine (CID 15273101) is N-cyclohexylcyclohexen-1-amine.
What is the SMILES notation for N-cyclohexylcyclohexen-1-amine?
The canonical SMILES for N-cyclohexylcyclohexen-1-amine is C1=C(NC2CCCCC2)CCCC1.
What is the InChIKey of N-cyclohexylcyclohexen-1-amine?
The InChIKey is YXTKJSIWWJBAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h7,12-13H,1-6,8-10H2.
What are the key properties of N-cyclohexylcyclohexen-1-amine?
N-cyclohexylcyclohexen-1-amine has a molecular weight of 179.31 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexylcyclohexen-1-amine is sourced from PubChem (CID 15273101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).