2-(3-methoxypropoxy)-N,3,5-trimethylcyclohexan-1-amine

C13H27NO2 — CID 64751601

IUPAC2-(3-methoxypropoxy)-N,3,5-trimethylcyclohexan-1-amine
SMILESCNC1CC(C)CC(C)C1OCCCOC
InChIInChI=1S/C13H27NO2/c1-10-8-11(2)13(12(9-10)14-3)16-7-5-6-15-4/h10-14H,5-9H2,1-4H3
InChIKeyJMMXUBYTTJPLMS-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.06
Rot. Bonds6

About 2-(3-methoxypropoxy)-N,3,5-trimethylcyclohexan-1-amine

2-(3-methoxypropoxy)-N,3,5-trimethylcyclohexan-1-amine (PubChem CID 64751601) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 2-(3-methoxypropoxy)-N,3,5-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(3-methoxypropoxy)-N,3,5-trimethylcyclohexan-1-amine
PubChem CID64751601
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name2-(3-methoxypropoxy)-N,3,5-trimethylcyclohexan-1-amine
SMILESCNC1CC(C)CC(C)C1OCCCOC
InChIInChI=1S/C13H27NO2/c1-10-8-11(2)13(12(9-10)14-3)16-7-5-6-15-4/h10-14H,5-9H2,1-4H3
InChIKeyJMMXUBYTTJPLMS-UHFFFAOYSA-N
XLogP2.06
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3-methoxypropoxy)-N,3,5-trimethylcyclohexan-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

N,3,5-trimethyl-2-pentoxycyclohexan-1-amine
CID 64753575
2-heptoxy-N,3,5-trimethylcyclohexan-1-amine
CID 64752776
N-ethyl-3,5-dimethyl-2-(4-methylpentoxy)cyclohexan-1-amine
CID 64751794
N-ethyl-2-hexoxy-3,5-dimethylcyclohexan-1-amine
CID 64752582
2-heptoxy-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64752974
2-(2-methoxyethoxy)-3,5-dimethylcyclohexan-1-ol
CID 64751700
2-(4-methoxyphenoxy)-N,3,5-trimethylcyclohexan-1-amine
CID 64751193
N-ethyl-3,5-dimethyl-2-propoxycyclohexan-1-amine
CID 64753175
2-(3,3-dimethylbutoxy)-N-ethyl-3,5-dimethylcyclohexan-1-amine
CID 66234496
N-(2-methoxyethoxy)-2,5-dimethylcyclohexan-1-amine
CID 82712267
2-[2-(2-methoxyethoxy)ethoxy]-3,5-dimethylcyclohexan-1-ol
CID 104564712
3-(3-methoxypropoxy)-N,2,2-trimethylcyclobutan-1-amine
CID 66352640

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropoxy)-N,3,5-trimethylcyclohexan-1-amine?
The IUPAC name of 2-(3-methoxypropoxy)-N,3,5-trimethylcyclohexan-1-amine (CID 64751601) is 2-(3-methoxypropoxy)-N,3,5-trimethylcyclohexan-1-amine.
What is the SMILES notation for 2-(3-methoxypropoxy)-N,3,5-trimethylcyclohexan-1-amine?
The canonical SMILES for 2-(3-methoxypropoxy)-N,3,5-trimethylcyclohexan-1-amine is CNC1CC(C)CC(C)C1OCCCOC.
What is the InChIKey of 2-(3-methoxypropoxy)-N,3,5-trimethylcyclohexan-1-amine?
The InChIKey is JMMXUBYTTJPLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-10-8-11(2)13(12(9-10)14-3)16-7-5-6-15-4/h10-14H,5-9H2,1-4H3.
What are the key properties of 2-(3-methoxypropoxy)-N,3,5-trimethylcyclohexan-1-amine?
2-(3-methoxypropoxy)-N,3,5-trimethylcyclohexan-1-amine has a molecular weight of 229.36 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropoxy)-N,3,5-trimethylcyclohexan-1-amine is sourced from PubChem (CID 64751601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).