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

C9H13NO — CID 143509641

IUPAC4-methoxy-N-methylcyclohepta-2,4,6-trien-1-amine
SMILESCNC1C=CC=C(OC)C=C1
InChIInChI=1S/C9H13NO/c1-10-8-4-3-5-9(11-2)7-6-8/h3-8,10H,1-2H3
InChIKeyPROACQIGBHEJGV-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.23
Rot. Bonds2

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

4-methoxy-N-methylcyclohepta-2,4,6-trien-1-amine (PubChem CID 143509641) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 4-methoxy-N-methylcyclohepta-2,4,6-trien-1-amine.

Molecular Properties

Compound Name4-methoxy-N-methylcyclohepta-2,4,6-trien-1-amine
PubChem CID143509641
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name4-methoxy-N-methylcyclohepta-2,4,6-trien-1-amine
SMILESCNC1C=CC=C(OC)C=C1
InChIInChI=1S/C9H13NO/c1-10-8-4-3-5-9(11-2)7-6-8/h3-8,10H,1-2H3
InChIKeyPROACQIGBHEJGV-UHFFFAOYSA-N
XLogP1.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-6-methoxy-N-methylcyclohepta-1,4,6-trien-1-amine
CID 134365758
4-(difluoromethoxy)-N-methylcyclohexa-2,4-dien-1-amine
CID 134365782
4-fluoro-3-methoxy-N-methylcyclohepta-1,3,6-trien-1-amine
CID 142969724
5-Amino-3-ethoxycyclopentadiene
CID 129735658
4-Methoxycyclohexa-2,4-dien-1-amine
CID 15267074
1-(3,4-dihydro-2H-oxepin-7-ylidene)butan-2-amine
CID 57009658
4-Ethoxycyclohexa-2,4-dien-1-amine
CID 67819232
(3Z,5E)-5-methoxy-N-methyl-2-methylidenehepta-3,5-dien-1-amine
CID 88576747
(3Z,5E)-5-methoxy-N,4-dimethylocta-3,5,7-trien-1-amine
CID 89363688
4-Methoxy-2-methyl-1,2-dihydropyridine
CID 89932271
(4Z,6E)-6-methoxy-N-methylocta-4,6-dien-1-amine
CID 90444789
6-Methoxynona-4,6-dien-2-amine
CID 90755052

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methylcyclohepta-2,4,6-trien-1-amine?
The IUPAC name of 4-methoxy-N-methylcyclohepta-2,4,6-trien-1-amine (CID 143509641) is 4-methoxy-N-methylcyclohepta-2,4,6-trien-1-amine.
What is the SMILES notation for 4-methoxy-N-methylcyclohepta-2,4,6-trien-1-amine?
The canonical SMILES for 4-methoxy-N-methylcyclohepta-2,4,6-trien-1-amine is CNC1C=CC=C(OC)C=C1.
What is the InChIKey of 4-methoxy-N-methylcyclohepta-2,4,6-trien-1-amine?
The InChIKey is PROACQIGBHEJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-10-8-4-3-5-9(11-2)7-6-8/h3-8,10H,1-2H3.
What are the key properties of 4-methoxy-N-methylcyclohepta-2,4,6-trien-1-amine?
4-methoxy-N-methylcyclohepta-2,4,6-trien-1-amine has a molecular weight of 151.21 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methylcyclohepta-2,4,6-trien-1-amine is sourced from PubChem (CID 143509641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).