N-(3-ethoxypropyl)-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-amine

C16H34N2O — CID 114597202

IUPACN-(3-ethoxypropyl)-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-amine
SMILESCCOCCCNCC(C)N1CC(C)CC(C)C1C
InChIInChI=1S/C16H34N2O/c1-6-19-9-7-8-17-11-15(4)18-12-13(2)10-14(3)16(18)5/h13-17H,6-12H2,1-5H3
InChIKeyUBNXDZLMMMZHGB-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.76
Rot. Bonds8

About N-(3-ethoxypropyl)-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-amine

N-(3-ethoxypropyl)-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-amine (PubChem CID 114597202) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-amine
PubChem CID114597202
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC NameN-(3-ethoxypropyl)-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-amine
SMILESCCOCCCNCC(C)N1CC(C)CC(C)C1C
InChIInChI=1S/C16H34N2O/c1-6-19-9-7-8-17-11-15(4)18-12-13(2)10-14(3)16(18)5/h13-17H,6-12H2,1-5H3
InChIKeyUBNXDZLMMMZHGB-UHFFFAOYSA-N
XLogP2.76
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-ethoxypropyl)-2-(2,3,5-trimethylpiperidin-1-yl)propan-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-propyl-4-(2,3,5-trimethylpiperidin-1-yl)pentan-1-amine
CID 114597107
N-prop-2-enyl-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-amine
CID 114597222
N-(3-ethoxypropyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine
CID 102887022
1-N-(3-ethoxypropyl)propane-1,2-diamine
CID 62568793
1-N-(3-ethoxypropyl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 62558176
2-(3-ethoxypiperidin-1-yl)-N-(3-ethoxypropyl)propan-1-amine
CID 62568558
N-(3-ethoxypropyl)-2-(4-methylsulfonylpiperazin-1-yl)propan-1-amine
CID 63004023
N-(3-ethoxypropyl)-2,3-dimethylbutan-1-amine
CID 65175065
1-N-(3-ethoxypropyl)-2-N-methyl-2-N-propan-2-ylpropane-1,2-diamine
CID 62558324
N-(3-ethoxypropyl)-2-methyl-3-methylsulfanylpropan-1-amine
CID 65175780
N-(3-ethoxypropyl)-2-methoxypropan-1-amine
CID 62565576
2-cyclopentyloxy-N-(3-ethoxypropyl)propan-1-amine
CID 62564975

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-amine?
The IUPAC name of N-(3-ethoxypropyl)-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-amine (CID 114597202) is N-(3-ethoxypropyl)-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-amine.
What is the SMILES notation for N-(3-ethoxypropyl)-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-amine?
The canonical SMILES for N-(3-ethoxypropyl)-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-amine is CCOCCCNCC(C)N1CC(C)CC(C)C1C.
What is the InChIKey of N-(3-ethoxypropyl)-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-amine?
The InChIKey is UBNXDZLMMMZHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-6-19-9-7-8-17-11-15(4)18-12-13(2)10-14(3)16(18)5/h13-17H,6-12H2,1-5H3.
What are the key properties of N-(3-ethoxypropyl)-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-amine?
N-(3-ethoxypropyl)-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-amine has a molecular weight of 270.46 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-amine is sourced from PubChem (CID 114597202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).