2-ethyl-N,N-bis(2-ethylhexyl)hexan-1-amine;hydrochloride

C24H52ClN — CID 23468552

IUPAC2-ethyl-N,N-bis(2-ethylhexyl)hexan-1-amine;hydrochloride
SMILESCCCCC(CC)CN(CC(CC)CCCC)CC(CC)CCCC.Cl
InChIInChI=1S/C24H51N.ClH/c1-7-13-16-22(10-4)19-25(20-23(11-5)17-14-8-2)21-24(12-6)18-15-9-3;/h22-24H,7-21H2,1-6H3;1H
InChIKeyGYLSOTHWIRBUBJ-UHFFFAOYSA-N
MW390.14 g/mol
LogP8.36
Rot. Bonds18

About 2-ethyl-N,N-bis(2-ethylhexyl)hexan-1-amine;hydrochloride

2-ethyl-N,N-bis(2-ethylhexyl)hexan-1-amine;hydrochloride (PubChem CID 23468552) has the molecular formula C24H52ClN and a molecular weight of 390.14 g/mol. Its IUPAC name is 2-ethyl-N,N-bis(2-ethylhexyl)hexan-1-amine;hydrochloride.

Molecular Properties

Compound Name2-ethyl-N,N-bis(2-ethylhexyl)hexan-1-amine;hydrochloride
PubChem CID23468552
Molecular FormulaC24H52ClN
Molecular Weight390.14 g/mol
Exact Mass389.38
IUPAC Name2-ethyl-N,N-bis(2-ethylhexyl)hexan-1-amine;hydrochloride
SMILESCCCCC(CC)CN(CC(CC)CCCC)CC(CC)CCCC.Cl
InChIInChI=1S/C24H51N.ClH/c1-7-13-16-22(10-4)19-25(20-23(11-5)17-14-8-2)21-24(12-6)18-15-9-3;/h22-24H,7-21H2,1-6H3;1H
InChIKeyGYLSOTHWIRBUBJ-UHFFFAOYSA-N
XLogP8.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.14
LogP ≤ 58.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-ethyl-N,N-bis(2-ethylhexyl)hexan-1-amine;hydrochloride 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

(2S)-N,N-dibutyl-2-ethylhexan-1-amine
CID 40541425
1,1,2,2-tetrakis(2-ethylhexyl)hydrazine
CID 123650144
2-ethyl-N,N-bis(prop-2-enyl)hexan-1-amine
CID 19751114
N-(2-chloroethyl)-N,2-diethylhexan-1-amine
CID 63386988
2-ethylhexan-1-amine;dihydrochloride
CID 142641821
2-ethyl-N-(2-ethylhexyl)-N-heptan-3-ylhexan-1-amine
CID 170537476
N-(2-ethylhexyl)-N-(7-methyloctyl)decan-1-amine
CID 152619191
azane;[2-ethylhexyl(phosphonomethyl)amino]methylphosphonic acid
CID 138397294
(2S)-2-ethylhexan-1-amine
CID 6999997
1-N',1-N'-bis(2-ethylhexyl)propane-1,1-diamine
CID 23135069
dipotassium;3-[2-carboxylatoethyl(2-ethylhexyl)amino]propanoate
CID 142284997
bis[[bis(2-ethylhexyl)amino]methyl] hydrogen phosphate
CID 153353654

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N,N-bis(2-ethylhexyl)hexan-1-amine;hydrochloride?
The IUPAC name of 2-ethyl-N,N-bis(2-ethylhexyl)hexan-1-amine;hydrochloride (CID 23468552) is 2-ethyl-N,N-bis(2-ethylhexyl)hexan-1-amine;hydrochloride.
What is the SMILES notation for 2-ethyl-N,N-bis(2-ethylhexyl)hexan-1-amine;hydrochloride?
The canonical SMILES for 2-ethyl-N,N-bis(2-ethylhexyl)hexan-1-amine;hydrochloride is CCCCC(CC)CN(CC(CC)CCCC)CC(CC)CCCC.Cl.
What is the InChIKey of 2-ethyl-N,N-bis(2-ethylhexyl)hexan-1-amine;hydrochloride?
The InChIKey is GYLSOTHWIRBUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51N.ClH/c1-7-13-16-22(10-4)19-25(20-23(11-5)17-14-8-2)21-24(12-6)18-15-9-3;/h22-24H,7-21H2,1-6H3;1H.
What are the key properties of 2-ethyl-N,N-bis(2-ethylhexyl)hexan-1-amine;hydrochloride?
2-ethyl-N,N-bis(2-ethylhexyl)hexan-1-amine;hydrochloride has a molecular weight of 390.14 g/mol, XLogP of 8.36, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N,N-bis(2-ethylhexyl)hexan-1-amine;hydrochloride is sourced from PubChem (CID 23468552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).