4-cyclohexylcyclohexa-2,4-dien-1-amine

C12H19N — CID 89025313

IUPAC4-cyclohexylcyclohexa-2,4-dien-1-amine
SMILESNC1C=CC(C2CCCCC2)=CC1
InChIInChI=1S/C12H19N/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-8,10,12H,1-5,9,13H2
InChIKeyLLKDAHZNPKQWSP-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.78
Rot. Bonds1

About 4-cyclohexylcyclohexa-2,4-dien-1-amine

4-cyclohexylcyclohexa-2,4-dien-1-amine (PubChem CID 89025313) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 4-cyclohexylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name4-cyclohexylcyclohexa-2,4-dien-1-amine
PubChem CID89025313
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name4-cyclohexylcyclohexa-2,4-dien-1-amine
SMILESNC1C=CC(C2CCCCC2)=CC1
InChIInChI=1S/C12H19N/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-8,10,12H,1-5,9,13H2
InChIKeyLLKDAHZNPKQWSP-UHFFFAOYSA-N
XLogP2.78
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 4-cyclohexylcyclohexa-2,4-dien-1-amine (CID 89025313) is 4-cyclohexylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 4-cyclohexylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 4-cyclohexylcyclohexa-2,4-dien-1-amine is NC1C=CC(C2CCCCC2)=CC1.
What is the InChIKey of 4-cyclohexylcyclohexa-2,4-dien-1-amine?
The InChIKey is LLKDAHZNPKQWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-8,10,12H,1-5,9,13H2.
What are the key properties of 4-cyclohexylcyclohexa-2,4-dien-1-amine?
4-cyclohexylcyclohexa-2,4-dien-1-amine has a molecular weight of 177.29 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 89025313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).