2,4-dimethoxy-N-methylcyclohepta-1,3,6-trien-1-amine

C10H15NO2 — CID 143385204

IUPAC2,4-dimethoxy-N-methylcyclohepta-1,3,6-trien-1-amine
SMILESCNC1=C(OC)C=C(OC)CC=C1
InChIInChI=1S/C10H15NO2/c1-11-9-6-4-5-8(12-2)7-10(9)13-3/h4,6-7,11H,5H2,1-3H3
InChIKeyVVROEHIEJQNDMB-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.55
Rot. Bonds3

About 2,4-dimethoxy-N-methylcyclohepta-1,3,6-trien-1-amine

2,4-dimethoxy-N-methylcyclohepta-1,3,6-trien-1-amine (PubChem CID 143385204) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 2,4-dimethoxy-N-methylcyclohepta-1,3,6-trien-1-amine.

Molecular Properties

Compound Name2,4-dimethoxy-N-methylcyclohepta-1,3,6-trien-1-amine
PubChem CID143385204
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name2,4-dimethoxy-N-methylcyclohepta-1,3,6-trien-1-amine
SMILESCNC1=C(OC)C=C(OC)CC=C1
InChIInChI=1S/C10H15NO2/c1-11-9-6-4-5-8(12-2)7-10(9)13-3/h4,6-7,11H,5H2,1-3H3
InChIKeyVVROEHIEJQNDMB-UHFFFAOYSA-N
XLogP1.55
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-6-methoxy-N-methylcyclohepta-1,4,6-trien-1-amine
CID 134365758
5-(difluoromethoxy)-N-methylcyclohepta-1,4,6-trien-1-amine
CID 134365783
4-fluoro-3-methoxy-N-methylcyclohepta-1,3,6-trien-1-amine
CID 142969724
6-methoxy-N-methylcyclohepta-1,2,4,6-tetraen-1-amine
CID 89983569
(3Z)-5-methoxy-N-methylhexa-3,5-dien-2-amine
CID 132001282
2-chloro-6-methoxy-N-methylcyclohepta-1,4,6-trien-1-amine
CID 134365721
2-ethoxy-N-methylcyclopenta-1,3-dien-1-amine
CID 140101346
2-methoxy-N-methylcyclopenta-1,4-dien-1-amine
CID 140101372
N-ethyl-2-methoxycyclopenta-1,3-dien-1-amine
CID 140101398
2-methoxy-N-methylcyclopenta-1,3-dien-1-amine
CID 140101411
(3E,5E)-5-methoxy-N-methylhepta-1,3,5-trien-3-amine
CID 141911539
3,6-Dimethoxycyclohepta-1,3,6-trien-1-amine
CID 142133641

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-methylcyclohepta-1,3,6-trien-1-amine?
The IUPAC name of 2,4-dimethoxy-N-methylcyclohepta-1,3,6-trien-1-amine (CID 143385204) is 2,4-dimethoxy-N-methylcyclohepta-1,3,6-trien-1-amine.
What is the SMILES notation for 2,4-dimethoxy-N-methylcyclohepta-1,3,6-trien-1-amine?
The canonical SMILES for 2,4-dimethoxy-N-methylcyclohepta-1,3,6-trien-1-amine is CNC1=C(OC)C=C(OC)CC=C1.
What is the InChIKey of 2,4-dimethoxy-N-methylcyclohepta-1,3,6-trien-1-amine?
The InChIKey is VVROEHIEJQNDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-11-9-6-4-5-8(12-2)7-10(9)13-3/h4,6-7,11H,5H2,1-3H3.
What are the key properties of 2,4-dimethoxy-N-methylcyclohepta-1,3,6-trien-1-amine?
2,4-dimethoxy-N-methylcyclohepta-1,3,6-trien-1-amine has a molecular weight of 181.23 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-methylcyclohepta-1,3,6-trien-1-amine is sourced from PubChem (CID 143385204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).