3-methoxy-2-methylcyclohexa-1,3-dien-1-amine

C8H13NO — CID 149241732

IUPAC3-methoxy-2-methylcyclohexa-1,3-dien-1-amine
SMILESCOC1=CCCC(N)=C1C
InChIInChI=1S/C8H13NO/c1-6-7(9)4-3-5-8(6)10-2/h5H,3-4,9H2,1-2H3
InChIKeyXMIBLRIOSJBXAC-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.54
Rot. Bonds1

About 3-methoxy-2-methylcyclohexa-1,3-dien-1-amine

3-methoxy-2-methylcyclohexa-1,3-dien-1-amine (PubChem CID 149241732) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 3-methoxy-2-methylcyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name3-methoxy-2-methylcyclohexa-1,3-dien-1-amine
PubChem CID149241732
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name3-methoxy-2-methylcyclohexa-1,3-dien-1-amine
SMILESCOC1=CCCC(N)=C1C
InChIInChI=1S/C8H13NO/c1-6-7(9)4-3-5-8(6)10-2/h5H,3-4,9H2,1-2H3
InChIKeyXMIBLRIOSJBXAC-UHFFFAOYSA-N
XLogP1.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methoxy-2-methylcyclohexa-1,3-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

Related Compounds

4-Fluoro-2-methoxycyclohexa-1,3-dien-1-amine
CID 130436235
2-Fluoro-3-methoxycyclohexa-1,3-dien-1-amine
CID 173111203
2,4-Dimethoxycyclohexa-1,3-dien-1-amine
CID 19874861
5-Methoxy-2-methylbenzene-4-id-1-amine;yttrium
CID 60070103
4-Methoxy-2,6-dimethylbenzene-5-id-1-amine;yttrium
CID 60083203
3-Methoxycyclohexa-1,3-dien-1-amine
CID 68172558
2-Methoxycyclohexa-1,3-dien-1-amine
CID 89035381
(3E,5Z,7E)-5-methoxy-6,7-dimethylnona-3,5,7-trien-3-amine
CID 89240453
4-Methoxy-1-methylcyclohexa-3,5-diene-1,3-diamine
CID 117868407
(3Z,5E)-5-methoxy-2-methylnona-3,5-dien-3-amine
CID 126735355
2-ethyl-4-methyl-2H-pyran-5-amine
CID 134420951
(E,4Z)-3-methoxy-4-(6-methylcyclohexa-2,4-dien-1-ylidene)pent-2-en-2-amine
CID 142518700

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methylcyclohexa-1,3-dien-1-amine?
The IUPAC name of 3-methoxy-2-methylcyclohexa-1,3-dien-1-amine (CID 149241732) is 3-methoxy-2-methylcyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 3-methoxy-2-methylcyclohexa-1,3-dien-1-amine?
The canonical SMILES for 3-methoxy-2-methylcyclohexa-1,3-dien-1-amine is COC1=CCCC(N)=C1C.
What is the InChIKey of 3-methoxy-2-methylcyclohexa-1,3-dien-1-amine?
The InChIKey is XMIBLRIOSJBXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-6-7(9)4-3-5-8(6)10-2/h5H,3-4,9H2,1-2H3.
What are the key properties of 3-methoxy-2-methylcyclohexa-1,3-dien-1-amine?
3-methoxy-2-methylcyclohexa-1,3-dien-1-amine has a molecular weight of 139.20 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methylcyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 149241732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).