5,11-diethyl-2,4,4,5,11,12,12,14-octamethylhexadecane-2,14-diamine

C28H60N2 — CID 167184808

IUPAC5,11-diethyl-2,4,4,5,11,12,12,14-octamethylhexadecane-2,14-diamine
SMILESCCC(C)(N)CC(C)(C)C(C)(CC)CCCCCC(C)(CC)C(C)(C)CC(C)(C)N
InChIInChI=1S/C28H60N2/c1-13-26(10,23(4,5)21-25(8,9)29)19-17-16-18-20-27(11,14-2)24(6,7)22-28(12,30)15-3/h13-22,29-30H2,1-12H3
InChIKeyZSVOMHJPTVXHRL-UHFFFAOYSA-N
MW424.80 g/mol
LogP8.47
Rot. Bonds15

About 5,11-diethyl-2,4,4,5,11,12,12,14-octamethylhexadecane-2,14-diamine

5,11-diethyl-2,4,4,5,11,12,12,14-octamethylhexadecane-2,14-diamine (PubChem CID 167184808) has the molecular formula C28H60N2 and a molecular weight of 424.80 g/mol. Its IUPAC name is 5,11-diethyl-2,4,4,5,11,12,12,14-octamethylhexadecane-2,14-diamine.

Molecular Properties

Compound Name5,11-diethyl-2,4,4,5,11,12,12,14-octamethylhexadecane-2,14-diamine
PubChem CID167184808
Molecular FormulaC28H60N2
Molecular Weight424.80 g/mol
Exact Mass424.48
IUPAC Name5,11-diethyl-2,4,4,5,11,12,12,14-octamethylhexadecane-2,14-diamine
SMILESCCC(C)(N)CC(C)(C)C(C)(CC)CCCCCC(C)(CC)C(C)(C)CC(C)(C)N
InChIInChI=1S/C28H60N2/c1-13-26(10,23(4,5)21-25(8,9)29)19-17-16-18-20-27(11,14-2)24(6,7)22-28(12,30)15-3/h13-22,29-30H2,1-12H3
InChIKeyZSVOMHJPTVXHRL-UHFFFAOYSA-N
XLogP8.47
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.80
LogP ≤ 58.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5,11-diethyl-2,4,4,5,11,12,12,14-octamethylhexadecane-2,14-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

3-methyloctadecan-3-amine
CID 54058172
2,4,4-trimethyldodecan-2-amine
CID 88894727
5-ethyl-2,2,4,4,5-pentamethylheptane
CID 57492867
4,11-dimethyl-11-propyltetradecan-4-amine
CID 155476755
2-methylpentacosan-2-amine;hydrochloride
CID 173079320
2-methylheptadecan-2-amine;dihydrobromide
CID 175361639
2-methyltricosan-2-amine;hydrochloride
CID 146444056
4-ethyl-4,5,5-trimethylnonane
CID 57492041
2-methylpentadecan-2-amine;hydroiodide
CID 175554566
2-methylnonacosan-2-amine;hydrobromide
CID 174437586
7-methoxy-3-methylheptan-3-amine
CID 104650485
11-methyldodecane-1,11-diamine;propane
CID 145179809

Frequently Asked Questions

What is the IUPAC name of 5,11-diethyl-2,4,4,5,11,12,12,14-octamethylhexadecane-2,14-diamine?
The IUPAC name of 5,11-diethyl-2,4,4,5,11,12,12,14-octamethylhexadecane-2,14-diamine (CID 167184808) is 5,11-diethyl-2,4,4,5,11,12,12,14-octamethylhexadecane-2,14-diamine.
What is the SMILES notation for 5,11-diethyl-2,4,4,5,11,12,12,14-octamethylhexadecane-2,14-diamine?
The canonical SMILES for 5,11-diethyl-2,4,4,5,11,12,12,14-octamethylhexadecane-2,14-diamine is CCC(C)(N)CC(C)(C)C(C)(CC)CCCCCC(C)(CC)C(C)(C)CC(C)(C)N.
What is the InChIKey of 5,11-diethyl-2,4,4,5,11,12,12,14-octamethylhexadecane-2,14-diamine?
The InChIKey is ZSVOMHJPTVXHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H60N2/c1-13-26(10,23(4,5)21-25(8,9)29)19-17-16-18-20-27(11,14-2)24(6,7)22-28(12,30)15-3/h13-22,29-30H2,1-12H3.
What are the key properties of 5,11-diethyl-2,4,4,5,11,12,12,14-octamethylhexadecane-2,14-diamine?
5,11-diethyl-2,4,4,5,11,12,12,14-octamethylhexadecane-2,14-diamine has a molecular weight of 424.80 g/mol, XLogP of 8.47, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11-diethyl-2,4,4,5,11,12,12,14-octamethylhexadecane-2,14-diamine is sourced from PubChem (CID 167184808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).