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

C12H19N — CID 70423733

IUPAC1-cyclohexylcyclohexa-2,4-dien-1-amine
SMILESNC1(C2CCCCC2)C=CC=CC1
InChIInChI=1S/C12H19N/c13-12(9-5-2-6-10-12)11-7-3-1-4-8-11/h2,5-6,9,11H,1,3-4,7-8,10,13H2
InChIKeyNTJXSIJOYCVPNN-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.78
Rot. Bonds1

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

1-cyclohexylcyclohexa-2,4-dien-1-amine (PubChem CID 70423733) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 1-cyclohexylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name1-cyclohexylcyclohexa-2,4-dien-1-amine
PubChem CID70423733
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name1-cyclohexylcyclohexa-2,4-dien-1-amine
SMILESNC1(C2CCCCC2)C=CC=CC1
InChIInChI=1S/C12H19N/c13-12(9-5-2-6-10-12)11-7-3-1-4-8-11/h2,5-6,9,11H,1,3-4,7-8,10,13H2
InChIKeyNTJXSIJOYCVPNN-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 1-cyclohexylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 1-cyclohexylcyclohexa-2,4-dien-1-amine (CID 70423733) is 1-cyclohexylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 1-cyclohexylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 1-cyclohexylcyclohexa-2,4-dien-1-amine is NC1(C2CCCCC2)C=CC=CC1.
What is the InChIKey of 1-cyclohexylcyclohexa-2,4-dien-1-amine?
The InChIKey is NTJXSIJOYCVPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c13-12(9-5-2-6-10-12)11-7-3-1-4-8-11/h2,5-6,9,11H,1,3-4,7-8,10,13H2.
What are the key properties of 1-cyclohexylcyclohexa-2,4-dien-1-amine?
1-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 1-cyclohexylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 70423733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).