2-[3-(2-methoxyethoxy)propyl]-N,4-dipropylcyclohexan-1-amine

C18H37NO2 — CID 103410737

IUPAC2-[3-(2-methoxyethoxy)propyl]-N,4-dipropylcyclohexan-1-amine
SMILESCCCNC1CCC(CCC)CC1CCCOCCOC
InChIInChI=1S/C18H37NO2/c1-4-7-16-9-10-18(19-11-5-2)17(15-16)8-6-12-21-14-13-20-3/h16-19H,4-15H2,1-3H3
InChIKeyMXNGXWHONFOOIR-UHFFFAOYSA-N
MW299.50 g/mol
LogP4.01
Rot. Bonds12

About 2-[3-(2-methoxyethoxy)propyl]-N,4-dipropylcyclohexan-1-amine

2-[3-(2-methoxyethoxy)propyl]-N,4-dipropylcyclohexan-1-amine (PubChem CID 103410737) has the molecular formula C18H37NO2 and a molecular weight of 299.50 g/mol. Its IUPAC name is 2-[3-(2-methoxyethoxy)propyl]-N,4-dipropylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[3-(2-methoxyethoxy)propyl]-N,4-dipropylcyclohexan-1-amine
PubChem CID103410737
Molecular FormulaC18H37NO2
Molecular Weight299.50 g/mol
Exact Mass299.28
IUPAC Name2-[3-(2-methoxyethoxy)propyl]-N,4-dipropylcyclohexan-1-amine
SMILESCCCNC1CCC(CCC)CC1CCCOCCOC
InChIInChI=1S/C18H37NO2/c1-4-7-16-9-10-18(19-11-5-2)17(15-16)8-6-12-21-14-13-20-3/h16-19H,4-15H2,1-3H3
InChIKeyMXNGXWHONFOOIR-UHFFFAOYSA-N
XLogP4.01
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.50
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[3-(2-methoxyethoxy)propyl]-N,4-dipropylcyclohexan-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-ethyl-2-[3-(2-methoxyethoxy)propyl]-4-propylcyclohexan-1-amine
CID 103410736
2-(3-ethoxypropyl)-N,4-dipropylcyclohexan-1-amine
CID 65180818
2-(2-propoxyethyl)-N,4-dipropylcyclohexan-1-amine
CID 106454487
4-ethyl-2-(4-methoxybutyl)-N-propylcyclohexan-1-amine
CID 113436996
2-[3-(2-methoxyethoxy)propyl]-4-propylcyclohexan-1-amine
CID 103410732
2-[[ethyl(2-methoxyethyl)amino]methyl]-N,4-dipropylcyclohexan-1-amine
CID 63495212
1-bromo-2-[3-(2-methoxyethoxy)propyl]-4-propylcyclohexane
CID 103411900
2-(2-ethylbutyl)-N,4-dipropylcyclohexan-1-amine
CID 82929498
2-[2-hydroxyethyl-[[5-propyl-2-(propylamino)cyclohexyl]methyl]amino]ethanol
CID 62610825
2-(2-methoxyethyl)-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 62740231
N-[[2-(3-ethoxypropyl)-4-propylcyclohexyl]methyl]propan-1-amine
CID 81029753
2-[ethyl-[[5-propyl-2-(propylamino)cyclohexyl]methyl]amino]ethanol
CID 62610130

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxyethoxy)propyl]-N,4-dipropylcyclohexan-1-amine?
The IUPAC name of 2-[3-(2-methoxyethoxy)propyl]-N,4-dipropylcyclohexan-1-amine (CID 103410737) is 2-[3-(2-methoxyethoxy)propyl]-N,4-dipropylcyclohexan-1-amine.
What is the SMILES notation for 2-[3-(2-methoxyethoxy)propyl]-N,4-dipropylcyclohexan-1-amine?
The canonical SMILES for 2-[3-(2-methoxyethoxy)propyl]-N,4-dipropylcyclohexan-1-amine is CCCNC1CCC(CCC)CC1CCCOCCOC.
What is the InChIKey of 2-[3-(2-methoxyethoxy)propyl]-N,4-dipropylcyclohexan-1-amine?
The InChIKey is MXNGXWHONFOOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO2/c1-4-7-16-9-10-18(19-11-5-2)17(15-16)8-6-12-21-14-13-20-3/h16-19H,4-15H2,1-3H3.
What are the key properties of 2-[3-(2-methoxyethoxy)propyl]-N,4-dipropylcyclohexan-1-amine?
2-[3-(2-methoxyethoxy)propyl]-N,4-dipropylcyclohexan-1-amine has a molecular weight of 299.50 g/mol, XLogP of 4.01, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxyethoxy)propyl]-N,4-dipropylcyclohexan-1-amine is sourced from PubChem (CID 103410737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).