6-methoxycyclohexa-2,4-dien-1-amine

C7H11NO — CID 23505191

IUPAC6-methoxycyclohexa-2,4-dien-1-amine
SMILESCOC1C=CC=CC1N
InChIInChI=1S/C7H11NO/c1-9-7-5-3-2-4-6(7)8/h2-7H,8H2,1H3
InChIKeyRDARAXRTGYPWCZ-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.45
Rot. Bonds1

About 6-methoxycyclohexa-2,4-dien-1-amine

6-methoxycyclohexa-2,4-dien-1-amine (PubChem CID 23505191) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 6-methoxycyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name6-methoxycyclohexa-2,4-dien-1-amine
PubChem CID23505191
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name6-methoxycyclohexa-2,4-dien-1-amine
SMILESCOC1C=CC=CC1N
InChIInChI=1S/C7H11NO/c1-9-7-5-3-2-4-6(7)8/h2-7H,8H2,1H3
InChIKeyRDARAXRTGYPWCZ-UHFFFAOYSA-N
XLogP0.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-Fluoro-6-methoxycyclohexa-2,4-dien-1-amine
CID 118514849
6-(Trifluoromethoxy)cyclohexa-2,4-dien-1-amine
CID 123991293
4-Fluoro-6-pentan-2-yloxycyclohexa-2,4-dien-1-amine
CID 148191835
6-(2,2,2-Trifluoroethoxy)cyclohexa-2,4-dien-1-amine
CID 166661463
6-Cyclopropoxy-2-fluorocyclohexa-2,4-dienamine
CID 72230630
4-Fluoro-6-propan-2-yloxycyclohexa-2,4-dien-1-amine
CID 145312380
4-Methoxycyclohexa-2,4-dien-1-amine
CID 15267074
5,6-Dimethoxycyclohexa-2,4-dien-1-amine
CID 23505196
(4-Methoxycyclohexa-1,5-dien-1-yl)methanamine
CID 55289776
N,6-dimethyl-3,6-dihydro-2H-pyran-3-amine
CID 59398020
6-Methoxy-6-methylcyclohexa-2,4-dien-1-amine
CID 67028805
4-Ethoxycyclohexa-2,4-dien-1-amine
CID 67819232

Frequently Asked Questions

What is the IUPAC name of 6-methoxycyclohexa-2,4-dien-1-amine?
The IUPAC name of 6-methoxycyclohexa-2,4-dien-1-amine (CID 23505191) is 6-methoxycyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 6-methoxycyclohexa-2,4-dien-1-amine?
The canonical SMILES for 6-methoxycyclohexa-2,4-dien-1-amine is COC1C=CC=CC1N.
What is the InChIKey of 6-methoxycyclohexa-2,4-dien-1-amine?
The InChIKey is RDARAXRTGYPWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-9-7-5-3-2-4-6(7)8/h2-7H,8H2,1H3.
What are the key properties of 6-methoxycyclohexa-2,4-dien-1-amine?
6-methoxycyclohexa-2,4-dien-1-amine has a molecular weight of 125.17 g/mol, XLogP of 0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxycyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 23505191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).