N-(2-ethylhexyl)-N-(3,5,5-trimethylhexyl)decan-1-amine

C27H57N — CID 150267312

IUPACN-(2-ethylhexyl)-N-(3,5,5-trimethylhexyl)decan-1-amine
SMILESCCCCCCCCCCN(CCC(C)CC(C)(C)C)CC(CC)CCCC
InChIInChI=1S/C27H57N/c1-8-11-13-14-15-16-17-18-21-28(24-26(10-3)19-12-9-2)22-20-25(4)23-27(5,6)7/h25-26H,8-24H2,1-7H3
InChIKeyGCURFZHINSOEFJ-UHFFFAOYSA-N
MW395.76 g/mol
LogP9.11
Rot. Bonds19

About N-(2-ethylhexyl)-N-(3,5,5-trimethylhexyl)decan-1-amine

N-(2-ethylhexyl)-N-(3,5,5-trimethylhexyl)decan-1-amine (PubChem CID 150267312) has the molecular formula C27H57N and a molecular weight of 395.76 g/mol. Its IUPAC name is N-(2-ethylhexyl)-N-(3,5,5-trimethylhexyl)decan-1-amine.

Molecular Properties

Compound NameN-(2-ethylhexyl)-N-(3,5,5-trimethylhexyl)decan-1-amine
PubChem CID150267312
Molecular FormulaC27H57N
Molecular Weight395.76 g/mol
Exact Mass395.45
IUPAC NameN-(2-ethylhexyl)-N-(3,5,5-trimethylhexyl)decan-1-amine
SMILESCCCCCCCCCCN(CCC(C)CC(C)(C)C)CC(CC)CCCC
InChIInChI=1S/C27H57N/c1-8-11-13-14-15-16-17-18-21-28(24-26(10-3)19-12-9-2)22-20-25(4)23-27(5,6)7/h25-26H,8-24H2,1-7H3
InChIKeyGCURFZHINSOEFJ-UHFFFAOYSA-N
XLogP9.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.76
LogP ≤ 59.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2-ethylhexyl)-N-(3,5,5-trimethylhexyl)decan-1-amine 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-ethylhexyl)-N-(7-methyloctyl)decan-1-amine
CID 152619191
(2S)-N,N-dibutyl-2-ethylhexan-1-amine
CID 40541425
hexane;2,2,4-trimethyloctane
CID 174278610
4-ethyl-2,2-dimethyloctane;2,2,4-trimethylhexane
CID 159606053
2,2,4-trimethyltetradecane
CID 19913540
2,2,4-trimethylundecane
CID 57127021
4-ethyl-2,2-dimethylundecane
CID 57148290
2-ethyl-N,N-bis(2-ethylhexyl)hexan-1-amine;hydrochloride
CID 23468552
N-(3-methylbutyl)-N-octadecyloctadecan-1-amine
CID 139724073
N-heptyl-N-(3-methylbutyl)heptan-1-amine
CID 139723381
butyl 3-[dodecyl(2-ethylhexyl)amino]propanoate
CID 87784865
N-ethyl-N,2-dihexyldecan-1-amine
CID 139891233

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)-N-(3,5,5-trimethylhexyl)decan-1-amine?
The IUPAC name of N-(2-ethylhexyl)-N-(3,5,5-trimethylhexyl)decan-1-amine (CID 150267312) is N-(2-ethylhexyl)-N-(3,5,5-trimethylhexyl)decan-1-amine.
What is the SMILES notation for N-(2-ethylhexyl)-N-(3,5,5-trimethylhexyl)decan-1-amine?
The canonical SMILES for N-(2-ethylhexyl)-N-(3,5,5-trimethylhexyl)decan-1-amine is CCCCCCCCCCN(CCC(C)CC(C)(C)C)CC(CC)CCCC.
What is the InChIKey of N-(2-ethylhexyl)-N-(3,5,5-trimethylhexyl)decan-1-amine?
The InChIKey is GCURFZHINSOEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H57N/c1-8-11-13-14-15-16-17-18-21-28(24-26(10-3)19-12-9-2)22-20-25(4)23-27(5,6)7/h25-26H,8-24H2,1-7H3.
What are the key properties of N-(2-ethylhexyl)-N-(3,5,5-trimethylhexyl)decan-1-amine?
N-(2-ethylhexyl)-N-(3,5,5-trimethylhexyl)decan-1-amine has a molecular weight of 395.76 g/mol, XLogP of 9.11, 19 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)-N-(3,5,5-trimethylhexyl)decan-1-amine is sourced from PubChem (CID 150267312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).