3-[3-(2-methoxyethoxy)propyl]-5,5-dimethylcyclohex-2-en-1-amine

C14H27NO2 — CID 103413763

IUPAC3-[3-(2-methoxyethoxy)propyl]-5,5-dimethylcyclohex-2-en-1-amine
SMILESCOCCOCCCC1=CC(N)CC(C)(C)C1
InChIInChI=1S/C14H27NO2/c1-14(2)10-12(9-13(15)11-14)5-4-6-17-8-7-16-3/h9,13H,4-8,10-11,15H2,1-3H3
InChIKeyQXALMUZENQGOFM-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.50
Rot. Bonds7

About 3-[3-(2-methoxyethoxy)propyl]-5,5-dimethylcyclohex-2-en-1-amine

3-[3-(2-methoxyethoxy)propyl]-5,5-dimethylcyclohex-2-en-1-amine (PubChem CID 103413763) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 3-[3-(2-methoxyethoxy)propyl]-5,5-dimethylcyclohex-2-en-1-amine.

Molecular Properties

Compound Name3-[3-(2-methoxyethoxy)propyl]-5,5-dimethylcyclohex-2-en-1-amine
PubChem CID103413763
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name3-[3-(2-methoxyethoxy)propyl]-5,5-dimethylcyclohex-2-en-1-amine
SMILESCOCCOCCCC1=CC(N)CC(C)(C)C1
InChIInChI=1S/C14H27NO2/c1-14(2)10-12(9-13(15)11-14)5-4-6-17-8-7-16-3/h9,13H,4-8,10-11,15H2,1-3H3
InChIKeyQXALMUZENQGOFM-UHFFFAOYSA-N
XLogP2.50
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[3-(2-methoxyethoxy)propyl]-5,5-dimethylcyclohex-2-en-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

5,5-Dimethyl-3-[3-(2,2,2-trifluoroethoxy)propyl]cyclohex-2-en-1-amine
CID 65177475
3-(3,5-Diethyl-1-methylcyclohex-2-en-1-yl)-1-ethoxypropan-1-amine
CID 123165644
3-(15-Methoxypentadecyl)-2,4,4-trimethylcyclohex-2-en-1-amine
CID 162724301
Cyclopenten-1-yl(oxan-4-yl)methanamine
CID 62904964
Cyclohepten-1-yl(oxan-4-yl)methanamine
CID 62905141
Cyclohexen-1-yl(oxan-4-yl)methanamine
CID 62907583
3-(1-Methoxypropan-2-yl)cyclohex-2-en-1-amine
CID 65171654
3-(Oxolan-3-yl)cyclohex-2-en-1-amine
CID 65171993
3-(Oxan-4-ylmethyl)cyclohex-2-en-1-amine
CID 65172158
3-(Oxan-4-yl)cyclohex-2-en-1-amine
CID 65172307
3-(Oxan-4-ylmethyl)cyclopent-2-en-1-amine
CID 65174465
3-(Oxan-4-yl)cyclopent-2-en-1-amine
CID 65174636

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methoxyethoxy)propyl]-5,5-dimethylcyclohex-2-en-1-amine?
The IUPAC name of 3-[3-(2-methoxyethoxy)propyl]-5,5-dimethylcyclohex-2-en-1-amine (CID 103413763) is 3-[3-(2-methoxyethoxy)propyl]-5,5-dimethylcyclohex-2-en-1-amine.
What is the SMILES notation for 3-[3-(2-methoxyethoxy)propyl]-5,5-dimethylcyclohex-2-en-1-amine?
The canonical SMILES for 3-[3-(2-methoxyethoxy)propyl]-5,5-dimethylcyclohex-2-en-1-amine is COCCOCCCC1=CC(N)CC(C)(C)C1.
What is the InChIKey of 3-[3-(2-methoxyethoxy)propyl]-5,5-dimethylcyclohex-2-en-1-amine?
The InChIKey is QXALMUZENQGOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-14(2)10-12(9-13(15)11-14)5-4-6-17-8-7-16-3/h9,13H,4-8,10-11,15H2,1-3H3.
What are the key properties of 3-[3-(2-methoxyethoxy)propyl]-5,5-dimethylcyclohex-2-en-1-amine?
3-[3-(2-methoxyethoxy)propyl]-5,5-dimethylcyclohex-2-en-1-amine has a molecular weight of 241.37 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methoxyethoxy)propyl]-5,5-dimethylcyclohex-2-en-1-amine is sourced from PubChem (CID 103413763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).