3-cyclohexa-1,5-dien-1-yl-N-ethyl-N-(2-methoxyethyl)-2-methylpropan-1-amine

C15H27NO — CID 143615599

IUPAC3-cyclohexa-1,5-dien-1-yl-N-ethyl-N-(2-methoxyethyl)-2-methylpropan-1-amine
SMILESCCN(CCOC)CC(C)CC1=CCCC=C1
InChIInChI=1S/C15H27NO/c1-4-16(10-11-17-3)13-14(2)12-15-8-6-5-7-9-15/h6,8-9,14H,4-5,7,10-13H2,1-3H3
InChIKeyIRODVGZMRTTXSV-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.26
Rot. Bonds8

About 3-cyclohexa-1,5-dien-1-yl-N-ethyl-N-(2-methoxyethyl)-2-methylpropan-1-amine

3-cyclohexa-1,5-dien-1-yl-N-ethyl-N-(2-methoxyethyl)-2-methylpropan-1-amine (PubChem CID 143615599) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 3-cyclohexa-1,5-dien-1-yl-N-ethyl-N-(2-methoxyethyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-cyclohexa-1,5-dien-1-yl-N-ethyl-N-(2-methoxyethyl)-2-methylpropan-1-amine
PubChem CID143615599
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name3-cyclohexa-1,5-dien-1-yl-N-ethyl-N-(2-methoxyethyl)-2-methylpropan-1-amine
SMILESCCN(CCOC)CC(C)CC1=CCCC=C1
InChIInChI=1S/C15H27NO/c1-4-16(10-11-17-3)13-14(2)12-15-8-6-5-7-9-15/h6,8-9,14H,4-5,7,10-13H2,1-3H3
InChIKeyIRODVGZMRTTXSV-UHFFFAOYSA-N
XLogP3.26
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-cyclohexa-1,5-dien-1-yl-N-ethyl-N-(2-methoxyethyl)-2-methylpropan-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

Related Compounds

4-(2-Fluorocyclohexa-1,5-dien-1-yl)-1-(2-methoxyethyl)piperidine
CID 173172155
3-Ethenyl-1-(2-methoxyethyl)piperidine
CID 58549959
1-(2-methoxyethyl)-5-propan-2-yl-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyridine
CID 68342204
1-(2-methoxyethyl)-3,4,7,8-tetrahydro-2H-quinoline
CID 68342296
(6R)-2-(2-methoxyethyl)-6-methyl-3,4,6,7-tetrahydro-1H-isoquinoline
CID 70843731
4-[(3E)-5-methylocta-1,3-dien-4-yl]morpholine
CID 89085950
4-[(2,5-Dimethyl-6-propan-2-ylcyclohexa-1,3-dien-1-yl)methyl]morpholine
CID 91600812
4-[(4-Methylcyclopent-2-en-1-yl)methyl]morpholine
CID 118198411
N-ethyl-2-methoxy-N-[[1-(4-methylhepta-1,3-dienyl)cyclopropyl]methyl]ethanamine
CID 123365734
2-ethenyl-N,N-bis(2-methoxyethyl)-4-methylhex-2-en-1-amine
CID 123912502
4-(3-Cyclohepta-1,3,5-trien-1-yl-2-methylpropyl)-2,6-dimethylmorpholine
CID 123981129
4-[(4-Methylcyclohexa-2,4-dien-1-yl)methyl]morpholine
CID 129089879

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexa-1,5-dien-1-yl-N-ethyl-N-(2-methoxyethyl)-2-methylpropan-1-amine?
The IUPAC name of 3-cyclohexa-1,5-dien-1-yl-N-ethyl-N-(2-methoxyethyl)-2-methylpropan-1-amine (CID 143615599) is 3-cyclohexa-1,5-dien-1-yl-N-ethyl-N-(2-methoxyethyl)-2-methylpropan-1-amine.
What is the SMILES notation for 3-cyclohexa-1,5-dien-1-yl-N-ethyl-N-(2-methoxyethyl)-2-methylpropan-1-amine?
The canonical SMILES for 3-cyclohexa-1,5-dien-1-yl-N-ethyl-N-(2-methoxyethyl)-2-methylpropan-1-amine is CCN(CCOC)CC(C)CC1=CCCC=C1.
What is the InChIKey of 3-cyclohexa-1,5-dien-1-yl-N-ethyl-N-(2-methoxyethyl)-2-methylpropan-1-amine?
The InChIKey is IRODVGZMRTTXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-4-16(10-11-17-3)13-14(2)12-15-8-6-5-7-9-15/h6,8-9,14H,4-5,7,10-13H2,1-3H3.
What are the key properties of 3-cyclohexa-1,5-dien-1-yl-N-ethyl-N-(2-methoxyethyl)-2-methylpropan-1-amine?
3-cyclohexa-1,5-dien-1-yl-N-ethyl-N-(2-methoxyethyl)-2-methylpropan-1-amine has a molecular weight of 237.39 g/mol, XLogP of 3.26, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexa-1,5-dien-1-yl-N-ethyl-N-(2-methoxyethyl)-2-methylpropan-1-amine is sourced from PubChem (CID 143615599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).