N'-butyl-N-methyl-N'-[2-(propylamino)ethyl]ethane-1,2-diamine

C12H29N3 — CID 58312291

IUPACN'-butyl-N-methyl-N'-[2-(propylamino)ethyl]ethane-1,2-diamine
SMILESCCCCN(CCNC)CCNCCC
InChIInChI=1S/C12H29N3/c1-4-6-10-15(11-8-13-3)12-9-14-7-5-2/h13-14H,4-12H2,1-3H3
InChIKeyIRYNGXGNSLJWCZ-UHFFFAOYSA-N
MW215.38 g/mol
LogP1.31
Rot. Bonds11

About N'-butyl-N-methyl-N'-[2-(propylamino)ethyl]ethane-1,2-diamine

N'-butyl-N-methyl-N'-[2-(propylamino)ethyl]ethane-1,2-diamine (PubChem CID 58312291) has the molecular formula C12H29N3 and a molecular weight of 215.38 g/mol. Its IUPAC name is N'-butyl-N-methyl-N'-[2-(propylamino)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-butyl-N-methyl-N'-[2-(propylamino)ethyl]ethane-1,2-diamine
PubChem CID58312291
Molecular FormulaC12H29N3
Molecular Weight215.38 g/mol
Exact Mass215.24
IUPAC NameN'-butyl-N-methyl-N'-[2-(propylamino)ethyl]ethane-1,2-diamine
SMILESCCCCN(CCNC)CCNCCC
InChIInChI=1S/C12H29N3/c1-4-6-10-15(11-8-13-3)12-9-14-7-5-2/h13-14H,4-12H2,1-3H3
InChIKeyIRYNGXGNSLJWCZ-UHFFFAOYSA-N
XLogP1.31
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-butyl-N-methyl-N'-[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'-[2-[2-[2-aminoethyl(butyl)amino]ethyl-[2-[2-[bis(2-aminoethyl)amino]ethyl-[2-(methylamino)ethyl]amino]ethyl]amino]ethyl]ethane-1,2-diamine
CID 159788489
N'-butyl-N'-ethyl-N-propylethane-1,2-diamine
CID 61386883
N-propyl-N',N'-bis[2-(propylamino)ethyl]ethane-1,2-diamine
CID 122700758
N-[2-(dibutylamino)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 55085123
N'-[2-(dibutylamino)ethyl]ethane-1,2-diamine
CID 54322779
N'-hexadecyl-N-[2-[hexadecyl(octadecyl)amino]ethyl]-N'-octadecylethane-1,2-diamine
CID 21492340
N'-[2-[bis[2-(methylamino)ethyl]amino]ethyl]-N-methylethane-1,2-diamine
CID 20736880
N-(2-aminoethyl)-N'-[2-(2-aminoethylamino)ethyl]-N'-[2-[2-[bis(2-aminoethyl)amino]ethyl-[2-(methylamino)ethyl]amino]ethyl]-N-ethylbutane-1,4-diamine;N'-[2-[2-[2-aminoethyl(butyl)amino]ethyl-[2-[2-[2-aminoethyl(propyl)amino]ethyl-[2-(methylamino)ethyl]amino]ethyl]amino]ethyl]ethane-1,2-diamine
CID 159625881
N,N',N'-tridodecylethane-1,2-diamine
CID 166798413
N'-butyl-N'-ethyl-N-propylpropane-1,3-diamine
CID 61386892
N-butyl-N',N'-dipropylethane-1,2-diamine
CID 54806933
N'-[2-[2-[2-[2-aminoethyl-[2-(methylamino)ethyl]amino]ethylamino]ethyl-[2-(methylamino)ethyl]amino]ethyl]ethane-1,2-diamine
CID 146523021

Frequently Asked Questions

What is the IUPAC name of N'-butyl-N-methyl-N'-[2-(propylamino)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-butyl-N-methyl-N'-[2-(propylamino)ethyl]ethane-1,2-diamine (CID 58312291) is N'-butyl-N-methyl-N'-[2-(propylamino)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-butyl-N-methyl-N'-[2-(propylamino)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-butyl-N-methyl-N'-[2-(propylamino)ethyl]ethane-1,2-diamine is CCCCN(CCNC)CCNCCC.
What is the InChIKey of N'-butyl-N-methyl-N'-[2-(propylamino)ethyl]ethane-1,2-diamine?
The InChIKey is IRYNGXGNSLJWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29N3/c1-4-6-10-15(11-8-13-3)12-9-14-7-5-2/h13-14H,4-12H2,1-3H3.
What are the key properties of N'-butyl-N-methyl-N'-[2-(propylamino)ethyl]ethane-1,2-diamine?
N'-butyl-N-methyl-N'-[2-(propylamino)ethyl]ethane-1,2-diamine has a molecular weight of 215.38 g/mol, XLogP of 1.31, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N-methyl-N'-[2-(propylamino)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 58312291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).