3,6-dimethoxy-3-methylcyclohexa-1,5-dien-1-amine

C9H15NO2 — CID 70477963

IUPAC3,6-dimethoxy-3-methylcyclohexa-1,5-dien-1-amine
SMILESCOC1=CCC(C)(OC)C=C1N
InChIInChI=1S/C9H15NO2/c1-9(12-3)5-4-8(11-2)7(10)6-9/h4,6H,5,10H2,1-3H3
InChIKeyWGYLTYMOCGMXTJ-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.17
Rot. Bonds2

About 3,6-dimethoxy-3-methylcyclohexa-1,5-dien-1-amine

3,6-dimethoxy-3-methylcyclohexa-1,5-dien-1-amine (PubChem CID 70477963) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 3,6-dimethoxy-3-methylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name3,6-dimethoxy-3-methylcyclohexa-1,5-dien-1-amine
PubChem CID70477963
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name3,6-dimethoxy-3-methylcyclohexa-1,5-dien-1-amine
SMILESCOC1=CCC(C)(OC)C=C1N
InChIInChI=1S/C9H15NO2/c1-9(12-3)5-4-8(11-2)7(10)6-9/h4,6H,5,10H2,1-3H3
InChIKeyWGYLTYMOCGMXTJ-UHFFFAOYSA-N
XLogP1.17
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3Z)-3-ethylidene-5-fluoro-6-methoxy-4-methylidenecyclohexa-1,5-dien-1-amine
CID 177202516
6-Methoxycyclohexa-1,5-dien-1-amine
CID 20027163
3-Chloro-3,6-dimethoxycyclohexa-1,5-dien-1-amine
CID 70439553
4-Methoxy-4-methylcyclohexa-1,5-dien-1-amine
CID 140150609
6-Amino-4-methoxy-3,4-dimethylcyclohexa-1,5-dien-1-ol
CID 140194306
6-Ethoxy-4-methylcyclohexa-1,5-dien-1-amine
CID 142143173
Ethane;6-methoxycyclohexa-1,5-dien-1-amine
CID 142373465
3-Methoxy-3-methylcyclohexa-1,5-dien-1-amine
CID 145021091
6-(2-Methylpropoxy)cyclohexa-1,5-dien-1-amine
CID 152307349
6-Ethoxycyclohexa-1,5-dien-1-amine
CID 173699901
6-[(2-Methylpropan-2-yl)oxy]cyclohexa-1,5-dien-1-amine
CID 173700029
(3Z)-3-ethylidene-6-methoxy-4-methylidenecyclohexa-1,5-dien-1-amine
CID 177202618

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethoxy-3-methylcyclohexa-1,5-dien-1-amine?
The IUPAC name of 3,6-dimethoxy-3-methylcyclohexa-1,5-dien-1-amine (CID 70477963) is 3,6-dimethoxy-3-methylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 3,6-dimethoxy-3-methylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for 3,6-dimethoxy-3-methylcyclohexa-1,5-dien-1-amine is COC1=CCC(C)(OC)C=C1N.
What is the InChIKey of 3,6-dimethoxy-3-methylcyclohexa-1,5-dien-1-amine?
The InChIKey is WGYLTYMOCGMXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-9(12-3)5-4-8(11-2)7(10)6-9/h4,6H,5,10H2,1-3H3.
What are the key properties of 3,6-dimethoxy-3-methylcyclohexa-1,5-dien-1-amine?
3,6-dimethoxy-3-methylcyclohexa-1,5-dien-1-amine has a molecular weight of 169.22 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethoxy-3-methylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 70477963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).