N-[2-(2-methoxyethoxy)ethyl]-2-prop-2-enyl-2-propylpent-4-en-1-amine

C16H31NO2 — CID 174110159

IUPACN-[2-(2-methoxyethoxy)ethyl]-2-prop-2-enyl-2-propylpent-4-en-1-amine
SMILESC=CCC(CC=C)(CCC)CNCCOCCOC
InChIInChI=1S/C16H31NO2/c1-5-8-16(9-6-2,10-7-3)15-17-11-12-19-14-13-18-4/h5-6,17H,1-2,7-15H2,3-4H3
InChIKeyYUMOGEAQIGOFLN-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.18
Rot. Bonds14

About N-[2-(2-methoxyethoxy)ethyl]-2-prop-2-enyl-2-propylpent-4-en-1-amine

N-[2-(2-methoxyethoxy)ethyl]-2-prop-2-enyl-2-propylpent-4-en-1-amine (PubChem CID 174110159) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is N-[2-(2-methoxyethoxy)ethyl]-2-prop-2-enyl-2-propylpent-4-en-1-amine.

Molecular Properties

Compound NameN-[2-(2-methoxyethoxy)ethyl]-2-prop-2-enyl-2-propylpent-4-en-1-amine
PubChem CID174110159
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC NameN-[2-(2-methoxyethoxy)ethyl]-2-prop-2-enyl-2-propylpent-4-en-1-amine
SMILESC=CCC(CC=C)(CCC)CNCCOCCOC
InChIInChI=1S/C16H31NO2/c1-5-8-16(9-6-2,10-7-3)15-17-11-12-19-14-13-18-4/h5-6,17H,1-2,7-15H2,3-4H3
InChIKeyYUMOGEAQIGOFLN-UHFFFAOYSA-N
XLogP3.18
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.18
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 N-[2-(2-methoxyethoxy)ethyl]-2-prop-2-enyl-2-propylpent-4-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

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethoxy)ethyl]-2-prop-2-enyl-2-propylpent-4-en-1-amine?
The IUPAC name of N-[2-(2-methoxyethoxy)ethyl]-2-prop-2-enyl-2-propylpent-4-en-1-amine (CID 174110159) is N-[2-(2-methoxyethoxy)ethyl]-2-prop-2-enyl-2-propylpent-4-en-1-amine.
What is the SMILES notation for N-[2-(2-methoxyethoxy)ethyl]-2-prop-2-enyl-2-propylpent-4-en-1-amine?
The canonical SMILES for N-[2-(2-methoxyethoxy)ethyl]-2-prop-2-enyl-2-propylpent-4-en-1-amine is C=CCC(CC=C)(CCC)CNCCOCCOC.
What is the InChIKey of N-[2-(2-methoxyethoxy)ethyl]-2-prop-2-enyl-2-propylpent-4-en-1-amine?
The InChIKey is YUMOGEAQIGOFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-5-8-16(9-6-2,10-7-3)15-17-11-12-19-14-13-18-4/h5-6,17H,1-2,7-15H2,3-4H3.
What are the key properties of N-[2-(2-methoxyethoxy)ethyl]-2-prop-2-enyl-2-propylpent-4-en-1-amine?
N-[2-(2-methoxyethoxy)ethyl]-2-prop-2-enyl-2-propylpent-4-en-1-amine has a molecular weight of 269.43 g/mol, XLogP of 3.18, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethoxy)ethyl]-2-prop-2-enyl-2-propylpent-4-en-1-amine is sourced from PubChem (CID 174110159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).