N-(2-ethoxyethyl)-4-propylheptan-4-amine

C14H31NO — CID 57099189

IUPACN-(2-ethoxyethyl)-4-propylheptan-4-amine
SMILESCCCC(CCC)(CCC)NCCOCC
InChIInChI=1S/C14H31NO/c1-5-9-14(10-6-2,11-7-3)15-12-13-16-8-4/h15H,5-13H2,1-4H3
InChIKeyWRYZCHOVUHREHU-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.75
Rot. Bonds11

About N-(2-ethoxyethyl)-4-propylheptan-4-amine

N-(2-ethoxyethyl)-4-propylheptan-4-amine (PubChem CID 57099189) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-4-propylheptan-4-amine.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-4-propylheptan-4-amine
PubChem CID57099189
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC NameN-(2-ethoxyethyl)-4-propylheptan-4-amine
SMILESCCCC(CCC)(CCC)NCCOCC
InChIInChI=1S/C14H31NO/c1-5-9-14(10-6-2,11-7-3)15-12-13-16-8-4/h15H,5-13H2,1-4H3
InChIKeyWRYZCHOVUHREHU-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-ethoxyethyl)-4-propylheptan-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-4-propylheptan-4-amine?
The IUPAC name of N-(2-ethoxyethyl)-4-propylheptan-4-amine (CID 57099189) is N-(2-ethoxyethyl)-4-propylheptan-4-amine.
What is the SMILES notation for N-(2-ethoxyethyl)-4-propylheptan-4-amine?
The canonical SMILES for N-(2-ethoxyethyl)-4-propylheptan-4-amine is CCCC(CCC)(CCC)NCCOCC.
What is the InChIKey of N-(2-ethoxyethyl)-4-propylheptan-4-amine?
The InChIKey is WRYZCHOVUHREHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-5-9-14(10-6-2,11-7-3)15-12-13-16-8-4/h15H,5-13H2,1-4H3.
What are the key properties of N-(2-ethoxyethyl)-4-propylheptan-4-amine?
N-(2-ethoxyethyl)-4-propylheptan-4-amine has a molecular weight of 229.41 g/mol, XLogP of 3.75, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-4-propylheptan-4-amine is sourced from PubChem (CID 57099189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).