(4-methoxycyclohexa-1,5-dien-1-yl)methanamine

C8H13NO — CID 55289776

IUPAC(4-methoxycyclohexa-1,5-dien-1-yl)methanamine
SMILESCOC1C=CC(CN)=CC1
InChIInChI=1S/C8H13NO/c1-10-8-4-2-7(6-9)3-5-8/h2-4,8H,5-6,9H2,1H3
InChIKeyRUACUDRMMIDJDM-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.85
Rot. Bonds2

About (4-methoxycyclohexa-1,5-dien-1-yl)methanamine

(4-methoxycyclohexa-1,5-dien-1-yl)methanamine (PubChem CID 55289776) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (4-methoxycyclohexa-1,5-dien-1-yl)methanamine.

Molecular Properties

Compound Name(4-methoxycyclohexa-1,5-dien-1-yl)methanamine
PubChem CID55289776
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(4-methoxycyclohexa-1,5-dien-1-yl)methanamine
SMILESCOC1C=CC(CN)=CC1
InChIInChI=1S/C8H13NO/c1-10-8-4-2-7(6-9)3-5-8/h2-4,8H,5-6,9H2,1H3
InChIKeyRUACUDRMMIDJDM-UHFFFAOYSA-N
XLogP0.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4-methoxycyclohexa-1,5-dien-1-yl)methanamine 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 (4-methoxycyclohexa-1,5-dien-1-yl)methanamine?
The IUPAC name of (4-methoxycyclohexa-1,5-dien-1-yl)methanamine (CID 55289776) is (4-methoxycyclohexa-1,5-dien-1-yl)methanamine.
What is the SMILES notation for (4-methoxycyclohexa-1,5-dien-1-yl)methanamine?
The canonical SMILES for (4-methoxycyclohexa-1,5-dien-1-yl)methanamine is COC1C=CC(CN)=CC1.
What is the InChIKey of (4-methoxycyclohexa-1,5-dien-1-yl)methanamine?
The InChIKey is RUACUDRMMIDJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-10-8-4-2-7(6-9)3-5-8/h2-4,8H,5-6,9H2,1H3.
What are the key properties of (4-methoxycyclohexa-1,5-dien-1-yl)methanamine?
(4-methoxycyclohexa-1,5-dien-1-yl)methanamine has a molecular weight of 139.20 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxycyclohexa-1,5-dien-1-yl)methanamine is sourced from PubChem (CID 55289776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).