4-methoxy-1-methylcyclohepta-2,4,6-trien-1-amine

C9H13NO — CID 123856084

IUPAC4-methoxy-1-methylcyclohepta-2,4,6-trien-1-amine
SMILESCOC1=CC=CC(C)(N)C=C1
InChIInChI=1S/C9H13NO/c1-9(10)6-3-4-8(11-2)5-7-9/h3-7H,10H2,1-2H3
InChIKeyVNBZEEULEFJUGW-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.36
Rot. Bonds1

About 4-methoxy-1-methylcyclohepta-2,4,6-trien-1-amine

4-methoxy-1-methylcyclohepta-2,4,6-trien-1-amine (PubChem CID 123856084) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 4-methoxy-1-methylcyclohepta-2,4,6-trien-1-amine.

Molecular Properties

Compound Name4-methoxy-1-methylcyclohepta-2,4,6-trien-1-amine
PubChem CID123856084
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name4-methoxy-1-methylcyclohepta-2,4,6-trien-1-amine
SMILESCOC1=CC=CC(C)(N)C=C1
InChIInChI=1S/C9H13NO/c1-9(10)6-3-4-8(11-2)5-7-9/h3-7H,10H2,1-2H3
InChIKeyVNBZEEULEFJUGW-UHFFFAOYSA-N
XLogP1.36
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Paramethylanisidine
CID 69626332
4-Fluoro-1-methyl-5-(trifluoromethoxy)cyclohepta-2,4,6-trien-1-amine
CID 144162942
3-(Difluoromethoxy)-1-methylcyclopenta-2,4-dien-1-amine
CID 162589999
1-Ethyl-4-methoxycyclohexa-2,4-dien-1-amine
CID 67766282
1-Methyl-4-(3-methylbutoxy)cyclohepta-2,4,6-trien-1-amine
CID 123293835
4-(Methoxymethyl)-1-methylcyclohepta-2,4,6-trien-1-amine
CID 123550662
4-But-2-en-2-yloxy-1-methylcyclohepta-2,4,6-trien-1-amine
CID 123685234
4-Ethenoxy-1-methylcyclohepta-2,4,6-trien-1-amine
CID 123759029
6-Methoxy-2-methyl-3-methylidenehepta-4,6-dien-2-amine
CID 123947578
(4Z)-5-methoxy-3-methylhepta-4,6-dien-3-amine
CID 129171754
(2Z,4E)-4-methoxyhepta-2,4-dien-1-amine
CID 130239384
(4Z)-6-methoxy-3-methylhepta-1,4,6-trien-3-amine
CID 141914590

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-methylcyclohepta-2,4,6-trien-1-amine?
The IUPAC name of 4-methoxy-1-methylcyclohepta-2,4,6-trien-1-amine (CID 123856084) is 4-methoxy-1-methylcyclohepta-2,4,6-trien-1-amine.
What is the SMILES notation for 4-methoxy-1-methylcyclohepta-2,4,6-trien-1-amine?
The canonical SMILES for 4-methoxy-1-methylcyclohepta-2,4,6-trien-1-amine is COC1=CC=CC(C)(N)C=C1.
What is the InChIKey of 4-methoxy-1-methylcyclohepta-2,4,6-trien-1-amine?
The InChIKey is VNBZEEULEFJUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-9(10)6-3-4-8(11-2)5-7-9/h3-7H,10H2,1-2H3.
What are the key properties of 4-methoxy-1-methylcyclohepta-2,4,6-trien-1-amine?
4-methoxy-1-methylcyclohepta-2,4,6-trien-1-amine has a molecular weight of 151.21 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-methylcyclohepta-2,4,6-trien-1-amine is sourced from PubChem (CID 123856084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).