1-(2-methoxycyclohexa-1,5-dien-1-yl)-N-methylmethanamine

C9H15NO — CID 143498026

IUPAC1-(2-methoxycyclohexa-1,5-dien-1-yl)-N-methylmethanamine
SMILESCNCC1=C(OC)CCC=C1
InChIInChI=1S/C9H15NO/c1-10-7-8-5-3-4-6-9(8)11-2/h3,5,10H,4,6-7H2,1-2H3
InChIKeyLRUXSRCVDNLGFD-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.46
Rot. Bonds3

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

1-(2-methoxycyclohexa-1,5-dien-1-yl)-N-methylmethanamine (PubChem CID 143498026) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 1-(2-methoxycyclohexa-1,5-dien-1-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-methoxycyclohexa-1,5-dien-1-yl)-N-methylmethanamine
PubChem CID143498026
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name1-(2-methoxycyclohexa-1,5-dien-1-yl)-N-methylmethanamine
SMILESCNCC1=C(OC)CCC=C1
InChIInChI=1S/C9H15NO/c1-10-7-8-5-3-4-6-9(8)11-2/h3,5,10H,4,6-7H2,1-2H3
InChIKeyLRUXSRCVDNLGFD-UHFFFAOYSA-N
XLogP1.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-methoxycyclohexa-1,5-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

Related Compounds

(Z)-N-[(2-fluorocyclohexa-1,5-dien-1-yl)methyl]-2-methoxybut-2-en-1-amine
CID 143135335
(5-Methoxycyclohexa-1,5-dien-1-yl)methanamine
CID 18407338
1-(2-Methoxycyclohexa-1,5-dien-1-yl)ethanamine
CID 70325193
1-(2-methoxy-1-methylcyclohexa-2,4-dien-1-yl)-N-methylmethanamine
CID 70543022
(3Z,5E)-5-methoxy-N-methyl-2-methylidenehepta-3,5-dien-1-amine
CID 88576747
6-Methoxy-5-propan-2-yl-1,2-dihydropyridine
CID 89077146
1-(2-methoxycyclohexa-1,5-dien-1-yl)-N-methylethanamine
CID 89688710
1-(4-methoxycyclohexa-1,3-dien-1-yl)-N-methylmethanamine
CID 123390807
3-methoxy-N-methyl-2-prop-1-en-2-ylbut-2-en-1-amine
CID 123395406
5,6-bis[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,3-oxazine
CID 134220357
2-methoxy-N,4-dimethylcyclohexa-2,4-dien-1-amine
CID 137427644
(Z)-N-ethenylbut-2-en-1-amine;1-methoxy-4-methylcyclohexa-1,3-diene
CID 141874258

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxycyclohexa-1,5-dien-1-yl)-N-methylmethanamine?
The IUPAC name of 1-(2-methoxycyclohexa-1,5-dien-1-yl)-N-methylmethanamine (CID 143498026) is 1-(2-methoxycyclohexa-1,5-dien-1-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-methoxycyclohexa-1,5-dien-1-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2-methoxycyclohexa-1,5-dien-1-yl)-N-methylmethanamine is CNCC1=C(OC)CCC=C1.
What is the InChIKey of 1-(2-methoxycyclohexa-1,5-dien-1-yl)-N-methylmethanamine?
The InChIKey is LRUXSRCVDNLGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-10-7-8-5-3-4-6-9(8)11-2/h3,5,10H,4,6-7H2,1-2H3.
What are the key properties of 1-(2-methoxycyclohexa-1,5-dien-1-yl)-N-methylmethanamine?
1-(2-methoxycyclohexa-1,5-dien-1-yl)-N-methylmethanamine has a molecular weight of 153.22 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxycyclohexa-1,5-dien-1-yl)-N-methylmethanamine is sourced from PubChem (CID 143498026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).