N'-butyl-N'-ethyl-N-propylethane-1,2-diamine

C11H26N2 — CID 61386883

IUPACN'-butyl-N'-ethyl-N-propylethane-1,2-diamine
SMILESCCCCN(CC)CCNCCC
InChIInChI=1S/C11H26N2/c1-4-7-10-13(6-3)11-9-12-8-5-2/h12H,4-11H2,1-3H3
InChIKeyWGURCESBQFXNIF-UHFFFAOYSA-N
MW186.34 g/mol
LogP2.11
Rot. Bonds9

About N'-butyl-N'-ethyl-N-propylethane-1,2-diamine

N'-butyl-N'-ethyl-N-propylethane-1,2-diamine (PubChem CID 61386883) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is N'-butyl-N'-ethyl-N-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-butyl-N'-ethyl-N-propylethane-1,2-diamine
PubChem CID61386883
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC NameN'-butyl-N'-ethyl-N-propylethane-1,2-diamine
SMILESCCCCN(CC)CCNCCC
InChIInChI=1S/C11H26N2/c1-4-7-10-13(6-3)11-9-12-8-5-2/h12H,4-11H2,1-3H3
InChIKeyWGURCESBQFXNIF-UHFFFAOYSA-N
XLogP2.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-butyl-N'-ethyl-N-propylethane-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

Related Compounds

N'-butyl-N'-ethyl-N-propylpropane-1,3-diamine
CID 61386892
N'-butyl-N-methyl-N'-[2-(propylamino)ethyl]ethane-1,2-diamine
CID 58312291
N'-butyl-N'-ethyl-N-(2-methoxyethyl)ethane-1,2-diamine
CID 62575465
N-propyl-N',N'-bis[2-(propylamino)ethyl]ethane-1,2-diamine
CID 122700758
N,N'-diethyl-N'-hexadecylethane-1,2-diamine
CID 154098014
2-[ethyl-[3-(propylamino)propyl]amino]ethanol
CID 61387164
N-docosyl-N',N'-diethylethane-1,2-diamine
CID 154021468
N-[2-(dibutylamino)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 55085123
N'-[2-(dibutylamino)ethyl]ethane-1,2-diamine
CID 54322779
N'-ethyl-N'-[3-(propylamino)propyl]propane-1,3-diamine
CID 20833349
N'-hexadecyl-N-[2-[hexadecyl(octadecyl)amino]ethyl]-N'-octadecylethane-1,2-diamine
CID 21492340
N'-ethyl-N'-pentyl-N-propylmethanediamine
CID 123257477

Frequently Asked Questions

What is the IUPAC name of N'-butyl-N'-ethyl-N-propylethane-1,2-diamine?
The IUPAC name of N'-butyl-N'-ethyl-N-propylethane-1,2-diamine (CID 61386883) is N'-butyl-N'-ethyl-N-propylethane-1,2-diamine.
What is the SMILES notation for N'-butyl-N'-ethyl-N-propylethane-1,2-diamine?
The canonical SMILES for N'-butyl-N'-ethyl-N-propylethane-1,2-diamine is CCCCN(CC)CCNCCC.
What is the InChIKey of N'-butyl-N'-ethyl-N-propylethane-1,2-diamine?
The InChIKey is WGURCESBQFXNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2/c1-4-7-10-13(6-3)11-9-12-8-5-2/h12H,4-11H2,1-3H3.
What are the key properties of N'-butyl-N'-ethyl-N-propylethane-1,2-diamine?
N'-butyl-N'-ethyl-N-propylethane-1,2-diamine has a molecular weight of 186.34 g/mol, XLogP of 2.11, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N'-ethyl-N-propylethane-1,2-diamine is sourced from PubChem (CID 61386883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).