1-(3,5-dimethoxycyclohexa-2,5-dien-1-yl)-N-methylmethanamine

C10H17NO2 — CID 86128732

IUPAC1-(3,5-dimethoxycyclohexa-2,5-dien-1-yl)-N-methylmethanamine
SMILESCNCC1C=C(OC)CC(OC)=C1
InChIInChI=1S/C10H17NO2/c1-11-7-8-4-9(12-2)6-10(5-8)13-3/h4-5,8,11H,6-7H2,1-3H3
InChIKeyLDMMUFBOYGTXKZ-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.29
Rot. Bonds4

About 1-(3,5-dimethoxycyclohexa-2,5-dien-1-yl)-N-methylmethanamine

1-(3,5-dimethoxycyclohexa-2,5-dien-1-yl)-N-methylmethanamine (PubChem CID 86128732) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-(3,5-dimethoxycyclohexa-2,5-dien-1-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,5-dimethoxycyclohexa-2,5-dien-1-yl)-N-methylmethanamine
PubChem CID86128732
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name1-(3,5-dimethoxycyclohexa-2,5-dien-1-yl)-N-methylmethanamine
SMILESCNCC1C=C(OC)CC(OC)=C1
InChIInChI=1S/C10H17NO2/c1-11-7-8-4-9(12-2)6-10(5-8)13-3/h4-5,8,11H,6-7H2,1-3H3
InChIKeyLDMMUFBOYGTXKZ-UHFFFAOYSA-N
XLogP1.29
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3,5-dimethoxycyclohexa-2,5-dien-1-yl)-N-methylmethanamine 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 1-(3,5-dimethoxycyclohexa-2,5-dien-1-yl)-N-methylmethanamine?
The IUPAC name of 1-(3,5-dimethoxycyclohexa-2,5-dien-1-yl)-N-methylmethanamine (CID 86128732) is 1-(3,5-dimethoxycyclohexa-2,5-dien-1-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3,5-dimethoxycyclohexa-2,5-dien-1-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3,5-dimethoxycyclohexa-2,5-dien-1-yl)-N-methylmethanamine is CNCC1C=C(OC)CC(OC)=C1.
What is the InChIKey of 1-(3,5-dimethoxycyclohexa-2,5-dien-1-yl)-N-methylmethanamine?
The InChIKey is LDMMUFBOYGTXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-11-7-8-4-9(12-2)6-10(5-8)13-3/h4-5,8,11H,6-7H2,1-3H3.
What are the key properties of 1-(3,5-dimethoxycyclohexa-2,5-dien-1-yl)-N-methylmethanamine?
1-(3,5-dimethoxycyclohexa-2,5-dien-1-yl)-N-methylmethanamine has a molecular weight of 183.25 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxycyclohexa-2,5-dien-1-yl)-N-methylmethanamine is sourced from PubChem (CID 86128732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).