N-ethyl-2-methoxy-N-[(6-methyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)methyl]ethanamine

C14H23NO — CID 164916057

IUPACN-ethyl-2-methoxy-N-[(6-methyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)methyl]ethanamine
SMILESCCN(CCOC)CC1=CC2CC2(C)C=C1
InChIInChI=1S/C14H23NO/c1-4-15(7-8-16-3)11-12-5-6-14(2)10-13(14)9-12/h5-6,9,13H,4,7-8,10-11H2,1-3H3
InChIKeyJZMYEKDWDAIBTH-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.48
Rot. Bonds6

About N-ethyl-2-methoxy-N-[(6-methyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)methyl]ethanamine

N-ethyl-2-methoxy-N-[(6-methyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)methyl]ethanamine (PubChem CID 164916057) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-ethyl-2-methoxy-N-[(6-methyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-methoxy-N-[(6-methyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)methyl]ethanamine
PubChem CID164916057
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-ethyl-2-methoxy-N-[(6-methyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)methyl]ethanamine
SMILESCCN(CCOC)CC1=CC2CC2(C)C=C1
InChIInChI=1S/C14H23NO/c1-4-15(7-8-16-3)11-12-5-6-14(2)10-13(14)9-12/h5-6,9,13H,4,7-8,10-11H2,1-3H3
InChIKeyJZMYEKDWDAIBTH-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-ethyl-2-methoxy-N-[(6-methyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)methyl]ethanamine with MolForge

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

Launch Full Analysis

Related Compounds

N-ethyl-2-methoxy-N-[[1-(4-methylhepta-1,3-dienyl)cyclopropyl]methyl]ethanamine
CID 123365734
4-(4-Tert-butyl-1-bicyclo[4.1.0]hepta-2,4-dienyl)morpholine
CID 142260584
N-[(2-tert-butylcyclohexa-1,5-dien-1-yl)methyl]-2-methoxy-N-methylethanamine
CID 143070792
2-ethoxy-N-[(6-methyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)methyl]ethanamine
CID 143127624
3-cyclohexa-1,5-dien-1-yl-N-ethyl-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 143615599
N-ethyl-2-methoxy-N-[(4-methyl-1-bicyclo[4.1.0]hepta-2,4-dienyl)methyl]ethanamine
CID 144717930

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methoxy-N-[(6-methyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)methyl]ethanamine?
The IUPAC name of N-ethyl-2-methoxy-N-[(6-methyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)methyl]ethanamine (CID 164916057) is N-ethyl-2-methoxy-N-[(6-methyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)methyl]ethanamine.
What is the SMILES notation for N-ethyl-2-methoxy-N-[(6-methyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)methyl]ethanamine?
The canonical SMILES for N-ethyl-2-methoxy-N-[(6-methyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)methyl]ethanamine is CCN(CCOC)CC1=CC2CC2(C)C=C1.
What is the InChIKey of N-ethyl-2-methoxy-N-[(6-methyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)methyl]ethanamine?
The InChIKey is JZMYEKDWDAIBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-15(7-8-16-3)11-12-5-6-14(2)10-13(14)9-12/h5-6,9,13H,4,7-8,10-11H2,1-3H3.
What are the key properties of N-ethyl-2-methoxy-N-[(6-methyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)methyl]ethanamine?
N-ethyl-2-methoxy-N-[(6-methyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)methyl]ethanamine has a molecular weight of 221.34 g/mol, XLogP of 2.48, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methoxy-N-[(6-methyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)methyl]ethanamine is sourced from PubChem (CID 164916057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).