N-propyl-N',N'-bis[2-(propylamino)ethyl]ethane-1,2-diamine

C15H36N4 — CID 122700758

IUPACN-propyl-N',N'-bis[2-(propylamino)ethyl]ethane-1,2-diamine
SMILESCCCNCCN(CCNCCC)CCNCCC
InChIInChI=1S/C15H36N4/c1-4-7-16-10-13-19(14-11-17-8-5-2)15-12-18-9-6-3/h16-18H,4-15H2,1-3H3
InChIKeyUSXNKZCVINXSAP-UHFFFAOYSA-N
MW272.48 g/mol
LogP1.29
Rot. Bonds15

About N-propyl-N',N'-bis[2-(propylamino)ethyl]ethane-1,2-diamine

N-propyl-N',N'-bis[2-(propylamino)ethyl]ethane-1,2-diamine (PubChem CID 122700758) has the molecular formula C15H36N4 and a molecular weight of 272.48 g/mol. Its IUPAC name is N-propyl-N',N'-bis[2-(propylamino)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-propyl-N',N'-bis[2-(propylamino)ethyl]ethane-1,2-diamine
PubChem CID122700758
Molecular FormulaC15H36N4
Molecular Weight272.48 g/mol
Exact Mass272.29
IUPAC NameN-propyl-N',N'-bis[2-(propylamino)ethyl]ethane-1,2-diamine
SMILESCCCNCCN(CCNCCC)CCNCCC
InChIInChI=1S/C15H36N4/c1-4-7-16-10-13-19(14-11-17-8-5-2)15-12-18-9-6-3/h16-18H,4-15H2,1-3H3
InChIKeyUSXNKZCVINXSAP-UHFFFAOYSA-N
XLogP1.29
TPSA39.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.48
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-propyl-N',N'-bis[2-(propylamino)ethyl]ethane-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',N'-dimethyl-N-propylethane-1,2-diamine;ethane
CID 134080811
N'-butyl-N-methyl-N'-[2-(propylamino)ethyl]ethane-1,2-diamine
CID 58312291
N'-butyl-N'-ethyl-N-propylethane-1,2-diamine
CID 61386883
N-butyl-N',N'-dipropylethane-1,2-diamine
CID 54806933
N'-hexadecyl-N-[2-[hexadecyl(octadecyl)amino]ethyl]-N'-octadecylethane-1,2-diamine
CID 21492340
N-(2-bromoethyl)-N',N'-dipropylethane-1,2-diamine
CID 46738413
N'-ethyl-N'-(2-methylpropyl)-N-propylethane-1,2-diamine
CID 61386594
N'-methyl-N'-[2-[propyl-[2-(propylamino)ethyl]amino]ethyl]ethane-1,2-diamine
CID 169021905
N'-[2-(dibutylamino)ethyl]ethane-1,2-diamine
CID 54322779
N,N',N'-tridodecylethane-1,2-diamine
CID 166798413
N-[2-(dibutylamino)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 55085123
N',N'-bis(2-aminoethyl)-N-propylpropane-1,3-diamine
CID 20586475

Frequently Asked Questions

What is the IUPAC name of N-propyl-N',N'-bis[2-(propylamino)ethyl]ethane-1,2-diamine?
The IUPAC name of N-propyl-N',N'-bis[2-(propylamino)ethyl]ethane-1,2-diamine (CID 122700758) is N-propyl-N',N'-bis[2-(propylamino)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N-propyl-N',N'-bis[2-(propylamino)ethyl]ethane-1,2-diamine?
The canonical SMILES for N-propyl-N',N'-bis[2-(propylamino)ethyl]ethane-1,2-diamine is CCCNCCN(CCNCCC)CCNCCC.
What is the InChIKey of N-propyl-N',N'-bis[2-(propylamino)ethyl]ethane-1,2-diamine?
The InChIKey is USXNKZCVINXSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H36N4/c1-4-7-16-10-13-19(14-11-17-8-5-2)15-12-18-9-6-3/h16-18H,4-15H2,1-3H3.
What are the key properties of N-propyl-N',N'-bis[2-(propylamino)ethyl]ethane-1,2-diamine?
N-propyl-N',N'-bis[2-(propylamino)ethyl]ethane-1,2-diamine has a molecular weight of 272.48 g/mol, XLogP of 1.29, 15 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N',N'-bis[2-(propylamino)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 122700758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).