2-(4-ethylcyclohepta-2,4,6-trien-1-yl)oxy-N-methylethanamine

C12H19NO — CID 142068009

IUPAC2-(4-ethylcyclohepta-2,4,6-trien-1-yl)oxy-N-methylethanamine
SMILESCCC1=CC=CC(OCCNC)C=C1
InChIInChI=1S/C12H19NO/c1-3-11-5-4-6-12(8-7-11)14-10-9-13-2/h4-8,12-13H,3,9-10H2,1-2H3
InChIKeyVUUKKCBKCXHHIO-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.05
Rot. Bonds5

About 2-(4-ethylcyclohepta-2,4,6-trien-1-yl)oxy-N-methylethanamine

2-(4-ethylcyclohepta-2,4,6-trien-1-yl)oxy-N-methylethanamine (PubChem CID 142068009) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-(4-ethylcyclohepta-2,4,6-trien-1-yl)oxy-N-methylethanamine.

Molecular Properties

Compound Name2-(4-ethylcyclohepta-2,4,6-trien-1-yl)oxy-N-methylethanamine
PubChem CID142068009
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2-(4-ethylcyclohepta-2,4,6-trien-1-yl)oxy-N-methylethanamine
SMILESCCC1=CC=CC(OCCNC)C=C1
InChIInChI=1S/C12H19NO/c1-3-11-5-4-6-12(8-7-11)14-10-9-13-2/h4-8,12-13H,3,9-10H2,1-2H3
InChIKeyVUUKKCBKCXHHIO-UHFFFAOYSA-N
XLogP2.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(4-ethylcyclohepta-2,4,6-trien-1-yl)oxy-N-methylethanamine 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

(E,2S)-4-fluoro-2-methoxy-N-methyl-3-methylidenehex-4-en-1-amine
CID 134224603
(E,2R)-4-fluoro-2-methoxy-N-methyl-3-methylidenehex-4-en-1-amine
CID 134224605
11-Fluoro-3,3-dimethyl-2-oxa-5-azabicyclo[5.4.1]dodeca-7(12),8,10-triene
CID 134601219
(4E)-2-ethoxy-4-fluoro-N-methyl-3-propan-2-ylidenehepta-4,6-dien-1-amine
CID 142279471
1-[5-ethenyl-4-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine
CID 142279546
3-t-Butoxy-dihydroazepine
CID 129743624
1-[(3S,6S)-4,5-bis(ethenyl)-3-fluoro-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine
CID 142279477
2-[(1E,3E,5E,7E)-1-fluoro-9-methylideneundeca-1,3,5,7-tetraen-4-yl]oxy-N-methylpropan-1-amine
CID 156867916
2-[(1E,3E)-octa-1,3-dienyl]morpholine
CID 88282315
3-[(2Z,4E)-3-methylhepta-2,4-dien-4-yl]oxyazetidine
CID 88614288
(Z,2E)-5-[(1R)-cyclohexa-2,4-dien-1-yl]oxy-2-ethylidene-N-methylpent-3-en-1-amine
CID 89519127
2-[1-(2-methoxycyclohexa-1,5-dien-1-yl)ethoxy]-N-methylethanamine
CID 89688709

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylcyclohepta-2,4,6-trien-1-yl)oxy-N-methylethanamine?
The IUPAC name of 2-(4-ethylcyclohepta-2,4,6-trien-1-yl)oxy-N-methylethanamine (CID 142068009) is 2-(4-ethylcyclohepta-2,4,6-trien-1-yl)oxy-N-methylethanamine.
What is the SMILES notation for 2-(4-ethylcyclohepta-2,4,6-trien-1-yl)oxy-N-methylethanamine?
The canonical SMILES for 2-(4-ethylcyclohepta-2,4,6-trien-1-yl)oxy-N-methylethanamine is CCC1=CC=CC(OCCNC)C=C1.
What is the InChIKey of 2-(4-ethylcyclohepta-2,4,6-trien-1-yl)oxy-N-methylethanamine?
The InChIKey is VUUKKCBKCXHHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-3-11-5-4-6-12(8-7-11)14-10-9-13-2/h4-8,12-13H,3,9-10H2,1-2H3.
What are the key properties of 2-(4-ethylcyclohepta-2,4,6-trien-1-yl)oxy-N-methylethanamine?
2-(4-ethylcyclohepta-2,4,6-trien-1-yl)oxy-N-methylethanamine has a molecular weight of 193.29 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylcyclohepta-2,4,6-trien-1-yl)oxy-N-methylethanamine is sourced from PubChem (CID 142068009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).