N'-benzyl-N'-(2-ethylhexyl)ethane-1,2-diamine

C17H30N2 — CID 63486504

IUPACN'-benzyl-N'-(2-ethylhexyl)ethane-1,2-diamine
SMILESCCCCC(CC)CN(CCN)Cc1ccccc1
InChIInChI=1S/C17H30N2/c1-3-5-9-16(4-2)14-19(13-12-18)15-17-10-7-6-8-11-17/h6-8,10-11,16H,3-5,9,12-15,18H2,1-2H3
InChIKeyVFZGKXZQLNRTKC-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.66
Rot. Bonds10

About N'-benzyl-N'-(2-ethylhexyl)ethane-1,2-diamine

N'-benzyl-N'-(2-ethylhexyl)ethane-1,2-diamine (PubChem CID 63486504) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N'-benzyl-N'-(2-ethylhexyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-(2-ethylhexyl)ethane-1,2-diamine
PubChem CID63486504
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN'-benzyl-N'-(2-ethylhexyl)ethane-1,2-diamine
SMILESCCCCC(CC)CN(CCN)Cc1ccccc1
InChIInChI=1S/C17H30N2/c1-3-5-9-16(4-2)14-19(13-12-18)15-17-10-7-6-8-11-17/h6-8,10-11,16H,3-5,9,12-15,18H2,1-2H3
InChIKeyVFZGKXZQLNRTKC-UHFFFAOYSA-N
XLogP3.66
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N'-benzyl-N'-(2-ethylhexyl)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

2-[benzyl(2-ethylhexyl)amino]ethanol
CID 55192095
2-ethyl-N-(2-ethylhexyl)-N-(3-phenylpropyl)hexan-1-amine
CID 6425935
N'-benzyl-N'-hexadecylethane-1,2-diamine
CID 22067437
N-benzyl-2-(bromomethyl)-N-propylbutan-1-amine
CID 130848534
N'-benzyl-N'-(2,2-diphenylethyl)ethane-1,2-diamine
CID 23995073
1-[3-aminopropyl(benzyl)amino]butan-2-ol
CID 107367330
N',N'-dibenzylethane-1,2-diamine;hydrochloride
CID 6460674
N,N-dibenzyl-1-phenylmethanamine;hexan-1-amine
CID 70589352
N-benzyl-N-butyl-3-methylbutan-1-amine
CID 21355603
3-[2-aminoethyl(benzyl)amino]-2-methylpropanenitrile
CID 106511629
(2S)-2-[(dibenzylamino)methyl]butan-1-ol
CID 102574363
N,N-dibenzyl-1-phenylmethanamine;hexane
CID 174855522

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-(2-ethylhexyl)ethane-1,2-diamine?
The IUPAC name of N'-benzyl-N'-(2-ethylhexyl)ethane-1,2-diamine (CID 63486504) is N'-benzyl-N'-(2-ethylhexyl)ethane-1,2-diamine.
What is the SMILES notation for N'-benzyl-N'-(2-ethylhexyl)ethane-1,2-diamine?
The canonical SMILES for N'-benzyl-N'-(2-ethylhexyl)ethane-1,2-diamine is CCCCC(CC)CN(CCN)Cc1ccccc1.
What is the InChIKey of N'-benzyl-N'-(2-ethylhexyl)ethane-1,2-diamine?
The InChIKey is VFZGKXZQLNRTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-3-5-9-16(4-2)14-19(13-12-18)15-17-10-7-6-8-11-17/h6-8,10-11,16H,3-5,9,12-15,18H2,1-2H3.
What are the key properties of N'-benzyl-N'-(2-ethylhexyl)ethane-1,2-diamine?
N'-benzyl-N'-(2-ethylhexyl)ethane-1,2-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.66, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-(2-ethylhexyl)ethane-1,2-diamine is sourced from PubChem (CID 63486504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).