N'-butan-2-yl-N-[2-[butan-2-yl(methyl)amino]ethyl]-N,N'-dimethylethane-1,2-diamine

C15H35N3 — CID 159533219

IUPACN'-butan-2-yl-N-[2-[butan-2-yl(methyl)amino]ethyl]-N,N'-dimethylethane-1,2-diamine
SMILESCCC(C)N(C)CCN(C)CCN(C)C(C)CC
InChIInChI=1S/C15H35N3/c1-8-14(3)17(6)12-10-16(5)11-13-18(7)15(4)9-2/h14-15H,8-13H2,1-7H3
InChIKeyMDGLQFSTSNDVRT-UHFFFAOYSA-N
MW257.47 g/mol
LogP2.38
Rot. Bonds10

About N'-butan-2-yl-N-[2-[butan-2-yl(methyl)amino]ethyl]-N,N'-dimethylethane-1,2-diamine

N'-butan-2-yl-N-[2-[butan-2-yl(methyl)amino]ethyl]-N,N'-dimethylethane-1,2-diamine (PubChem CID 159533219) has the molecular formula C15H35N3 and a molecular weight of 257.47 g/mol. Its IUPAC name is N'-butan-2-yl-N-[2-[butan-2-yl(methyl)amino]ethyl]-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-butan-2-yl-N-[2-[butan-2-yl(methyl)amino]ethyl]-N,N'-dimethylethane-1,2-diamine
PubChem CID159533219
Molecular FormulaC15H35N3
Molecular Weight257.47 g/mol
Exact Mass257.28
IUPAC NameN'-butan-2-yl-N-[2-[butan-2-yl(methyl)amino]ethyl]-N,N'-dimethylethane-1,2-diamine
SMILESCCC(C)N(C)CCN(C)CCN(C)C(C)CC
InChIInChI=1S/C15H35N3/c1-8-14(3)17(6)12-10-16(5)11-13-18(7)15(4)9-2/h14-15H,8-13H2,1-7H3
InChIKeyMDGLQFSTSNDVRT-UHFFFAOYSA-N
XLogP2.38
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.47
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N'-butan-2-yl-N-[2-[butan-2-yl(methyl)amino]ethyl]-N,N'-dimethylethane-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 N'-butan-2-yl-N-[2-[butan-2-yl(methyl)amino]ethyl]-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-butan-2-yl-N-[2-[butan-2-yl(methyl)amino]ethyl]-N,N'-dimethylethane-1,2-diamine (CID 159533219) is N'-butan-2-yl-N-[2-[butan-2-yl(methyl)amino]ethyl]-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-butan-2-yl-N-[2-[butan-2-yl(methyl)amino]ethyl]-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-butan-2-yl-N-[2-[butan-2-yl(methyl)amino]ethyl]-N,N'-dimethylethane-1,2-diamine is CCC(C)N(C)CCN(C)CCN(C)C(C)CC.
What is the InChIKey of N'-butan-2-yl-N-[2-[butan-2-yl(methyl)amino]ethyl]-N,N'-dimethylethane-1,2-diamine?
The InChIKey is MDGLQFSTSNDVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H35N3/c1-8-14(3)17(6)12-10-16(5)11-13-18(7)15(4)9-2/h14-15H,8-13H2,1-7H3.
What are the key properties of N'-butan-2-yl-N-[2-[butan-2-yl(methyl)amino]ethyl]-N,N'-dimethylethane-1,2-diamine?
N'-butan-2-yl-N-[2-[butan-2-yl(methyl)amino]ethyl]-N,N'-dimethylethane-1,2-diamine has a molecular weight of 257.47 g/mol, XLogP of 2.38, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-yl-N-[2-[butan-2-yl(methyl)amino]ethyl]-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 159533219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).