3-cyclohexyloxycyclohexa-2,4-dien-1-amine

C12H19NO — CID 89073630

IUPAC3-cyclohexyloxycyclohexa-2,4-dien-1-amine
SMILESNC1C=C(OC2CCCCC2)C=CC1
InChIInChI=1S/C12H19NO/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h4,8-11H,1-3,5-7,13H2
InChIKeyXADGEZWNASOPTR-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.51
Rot. Bonds2

About 3-cyclohexyloxycyclohexa-2,4-dien-1-amine

3-cyclohexyloxycyclohexa-2,4-dien-1-amine (PubChem CID 89073630) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 3-cyclohexyloxycyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name3-cyclohexyloxycyclohexa-2,4-dien-1-amine
PubChem CID89073630
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name3-cyclohexyloxycyclohexa-2,4-dien-1-amine
SMILESNC1C=C(OC2CCCCC2)C=CC1
InChIInChI=1S/C12H19NO/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h4,8-11H,1-3,5-7,13H2
InChIKeyXADGEZWNASOPTR-UHFFFAOYSA-N
XLogP2.51
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-cyclohexyloxycyclohexa-2,4-dien-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyloxycyclohexa-2,4-dien-1-amine?
The IUPAC name of 3-cyclohexyloxycyclohexa-2,4-dien-1-amine (CID 89073630) is 3-cyclohexyloxycyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 3-cyclohexyloxycyclohexa-2,4-dien-1-amine?
The canonical SMILES for 3-cyclohexyloxycyclohexa-2,4-dien-1-amine is NC1C=C(OC2CCCCC2)C=CC1.
What is the InChIKey of 3-cyclohexyloxycyclohexa-2,4-dien-1-amine?
The InChIKey is XADGEZWNASOPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h4,8-11H,1-3,5-7,13H2.
What are the key properties of 3-cyclohexyloxycyclohexa-2,4-dien-1-amine?
3-cyclohexyloxycyclohexa-2,4-dien-1-amine has a molecular weight of 193.29 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyloxycyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 89073630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).