2-N-ethyl-2-N-(2-ethylbutyl)-1-N-(3-methylbutyl)propane-1,2-diamine

C16H36N2 — CID 55197020

IUPAC2-N-ethyl-2-N-(2-ethylbutyl)-1-N-(3-methylbutyl)propane-1,2-diamine
SMILESCCC(CC)CN(CC)C(C)CNCCC(C)C
InChIInChI=1S/C16H36N2/c1-7-16(8-2)13-18(9-3)15(6)12-17-11-10-14(4)5/h14-17H,7-13H2,1-6H3
InChIKeyHYHQWLFXGWHAJY-UHFFFAOYSA-N
MW256.48 g/mol
LogP3.77
Rot. Bonds11

About 2-N-ethyl-2-N-(2-ethylbutyl)-1-N-(3-methylbutyl)propane-1,2-diamine

2-N-ethyl-2-N-(2-ethylbutyl)-1-N-(3-methylbutyl)propane-1,2-diamine (PubChem CID 55197020) has the molecular formula C16H36N2 and a molecular weight of 256.48 g/mol. Its IUPAC name is 2-N-ethyl-2-N-(2-ethylbutyl)-1-N-(3-methylbutyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-N-(2-ethylbutyl)-1-N-(3-methylbutyl)propane-1,2-diamine
PubChem CID55197020
Molecular FormulaC16H36N2
Molecular Weight256.48 g/mol
Exact Mass256.29
IUPAC Name2-N-ethyl-2-N-(2-ethylbutyl)-1-N-(3-methylbutyl)propane-1,2-diamine
SMILESCCC(CC)CN(CC)C(C)CNCCC(C)C
InChIInChI=1S/C16H36N2/c1-7-16(8-2)13-18(9-3)15(6)12-17-11-10-14(4)5/h14-17H,7-13H2,1-6H3
InChIKeyHYHQWLFXGWHAJY-UHFFFAOYSA-N
XLogP3.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.48
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-N-ethyl-2-N-(2-ethylbutyl)-1-N-(3-methylbutyl)propane-1,2-diamine 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 2-N-ethyl-2-N-(2-ethylbutyl)-1-N-(3-methylbutyl)propane-1,2-diamine?
The IUPAC name of 2-N-ethyl-2-N-(2-ethylbutyl)-1-N-(3-methylbutyl)propane-1,2-diamine (CID 55197020) is 2-N-ethyl-2-N-(2-ethylbutyl)-1-N-(3-methylbutyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-2-N-(2-ethylbutyl)-1-N-(3-methylbutyl)propane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-2-N-(2-ethylbutyl)-1-N-(3-methylbutyl)propane-1,2-diamine is CCC(CC)CN(CC)C(C)CNCCC(C)C.
What is the InChIKey of 2-N-ethyl-2-N-(2-ethylbutyl)-1-N-(3-methylbutyl)propane-1,2-diamine?
The InChIKey is HYHQWLFXGWHAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2/c1-7-16(8-2)13-18(9-3)15(6)12-17-11-10-14(4)5/h14-17H,7-13H2,1-6H3.
What are the key properties of 2-N-ethyl-2-N-(2-ethylbutyl)-1-N-(3-methylbutyl)propane-1,2-diamine?
2-N-ethyl-2-N-(2-ethylbutyl)-1-N-(3-methylbutyl)propane-1,2-diamine has a molecular weight of 256.48 g/mol, XLogP of 3.77, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-N-(2-ethylbutyl)-1-N-(3-methylbutyl)propane-1,2-diamine is sourced from PubChem (CID 55197020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).