5-methoxy-N,N-dipropylcyclohepta-1,4,6-trien-1-amine

C14H23NO — CID 166648438

IUPAC5-methoxy-N,N-dipropylcyclohepta-1,4,6-trien-1-amine
SMILESCCCN(CCC)C1=CCC=C(OC)C=C1
InChIInChI=1S/C14H23NO/c1-4-11-15(12-5-2)13-7-6-8-14(16-3)10-9-13/h7-10H,4-6,11-12H2,1-3H3
InChIKeyCOZBUJSCMYFEIP-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.48
Rot. Bonds6

About 5-methoxy-N,N-dipropylcyclohepta-1,4,6-trien-1-amine

5-methoxy-N,N-dipropylcyclohepta-1,4,6-trien-1-amine (PubChem CID 166648438) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 5-methoxy-N,N-dipropylcyclohepta-1,4,6-trien-1-amine.

Molecular Properties

Compound Name5-methoxy-N,N-dipropylcyclohepta-1,4,6-trien-1-amine
PubChem CID166648438
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name5-methoxy-N,N-dipropylcyclohepta-1,4,6-trien-1-amine
SMILESCCCN(CCC)C1=CCC=C(OC)C=C1
InChIInChI=1S/C14H23NO/c1-4-11-15(12-5-2)13-7-6-8-14(16-3)10-9-13/h7-10H,4-6,11-12H2,1-3H3
InChIKeyCOZBUJSCMYFEIP-UHFFFAOYSA-N
XLogP3.48
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-methoxy-N,N-dipropylcyclohepta-1,4,6-trien-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N,N-dipropylcyclohepta-1,4,6-trien-1-amine?
The IUPAC name of 5-methoxy-N,N-dipropylcyclohepta-1,4,6-trien-1-amine (CID 166648438) is 5-methoxy-N,N-dipropylcyclohepta-1,4,6-trien-1-amine.
What is the SMILES notation for 5-methoxy-N,N-dipropylcyclohepta-1,4,6-trien-1-amine?
The canonical SMILES for 5-methoxy-N,N-dipropylcyclohepta-1,4,6-trien-1-amine is CCCN(CCC)C1=CCC=C(OC)C=C1.
What is the InChIKey of 5-methoxy-N,N-dipropylcyclohepta-1,4,6-trien-1-amine?
The InChIKey is COZBUJSCMYFEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-11-15(12-5-2)13-7-6-8-14(16-3)10-9-13/h7-10H,4-6,11-12H2,1-3H3.
What are the key properties of 5-methoxy-N,N-dipropylcyclohepta-1,4,6-trien-1-amine?
5-methoxy-N,N-dipropylcyclohepta-1,4,6-trien-1-amine has a molecular weight of 221.34 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N,N-dipropylcyclohepta-1,4,6-trien-1-amine is sourced from PubChem (CID 166648438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).