2-amino-2-hexyldodecan-1-ol;2-amino-2-methyltetradecan-1-ol

C33H72N2O2 — CID 87201189

IUPAC2-amino-2-hexyldodecan-1-ol;2-amino-2-methyltetradecan-1-ol
SMILESCCCCCCCCCCC(N)(CO)CCCCCC.CCCCCCCCCCCCC(C)(N)CO
InChIInChI=1S/C18H39NO.C15H33NO/c1-3-5-7-9-10-11-12-14-16-18(19,17-20)15-13-8-6-4-2;1-3-4-5-6-7-8-9-10-11-12-13-15(2,16)14-17/h20H,3-17,19H2,1-2H3;17H,3-14,16H2,1-2H3
InChIKeyMMQCOSOHLOEXFL-UHFFFAOYSA-N
MW528.95 g/mol
LogP9.18
Rot. Bonds27

About 2-amino-2-hexyldodecan-1-ol;2-amino-2-methyltetradecan-1-ol

2-amino-2-hexyldodecan-1-ol;2-amino-2-methyltetradecan-1-ol (PubChem CID 87201189) has the molecular formula C33H72N2O2 and a molecular weight of 528.95 g/mol. Its IUPAC name is 2-amino-2-hexyldodecan-1-ol;2-amino-2-methyltetradecan-1-ol.

Molecular Properties

Compound Name2-amino-2-hexyldodecan-1-ol;2-amino-2-methyltetradecan-1-ol
PubChem CID87201189
Molecular FormulaC33H72N2O2
Molecular Weight528.95 g/mol
Exact Mass528.56
IUPAC Name2-amino-2-hexyldodecan-1-ol;2-amino-2-methyltetradecan-1-ol
SMILESCCCCCCCCCCC(N)(CO)CCCCCC.CCCCCCCCCCCCC(C)(N)CO
InChIInChI=1S/C18H39NO.C15H33NO/c1-3-5-7-9-10-11-12-14-16-18(19,17-20)15-13-8-6-4-2;1-3-4-5-6-7-8-9-10-11-12-13-15(2,16)14-17/h20H,3-17,19H2,1-2H3;17H,3-14,16H2,1-2H3
InChIKeyMMQCOSOHLOEXFL-UHFFFAOYSA-N
XLogP9.18
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds27
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.95
LogP ≤ 59.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-2-hexyldodecan-1-ol;2-amino-2-methyltetradecan-1-ol 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-amino-2-methylhexadecan-1-ol
CID 87201246
2-amino-2-propylpentadecan-1-ol
CID 87201203
2-amino-2-pentadecylpropane-1,3-diol
CID 10266875
2-amino-2-octadecylpropane-1,3-diol
CID 10712432
(2R)-2-amino-2-methylhexan-1-ol
CID 55277892
2-amino-2-methyl-6-pentylsulfanylhexan-1-ol
CID 107764656
2-amino-2-methyl-6-(4-octylphenyl)hexan-1-ol
CID 22618767
11-decylhenicosan-11-amine
CID 19847882
3-amino-3-methyloctan-1-ol
CID 80558733
3-methyloctadecan-3-amine
CID 54058172
10-nonylnonadecan-10-amine;hydroiodide
CID 173404185
5-butylhexadecan-5-amine
CID 22244897

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-hexyldodecan-1-ol;2-amino-2-methyltetradecan-1-ol?
The IUPAC name of 2-amino-2-hexyldodecan-1-ol;2-amino-2-methyltetradecan-1-ol (CID 87201189) is 2-amino-2-hexyldodecan-1-ol;2-amino-2-methyltetradecan-1-ol.
What is the SMILES notation for 2-amino-2-hexyldodecan-1-ol;2-amino-2-methyltetradecan-1-ol?
The canonical SMILES for 2-amino-2-hexyldodecan-1-ol;2-amino-2-methyltetradecan-1-ol is CCCCCCCCCCC(N)(CO)CCCCCC.CCCCCCCCCCCCC(C)(N)CO.
What is the InChIKey of 2-amino-2-hexyldodecan-1-ol;2-amino-2-methyltetradecan-1-ol?
The InChIKey is MMQCOSOHLOEXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39NO.C15H33NO/c1-3-5-7-9-10-11-12-14-16-18(19,17-20)15-13-8-6-4-2;1-3-4-5-6-7-8-9-10-11-12-13-15(2,16)14-17/h20H,3-17,19H2,1-2H3;17H,3-14,16H2,1-2H3.
What are the key properties of 2-amino-2-hexyldodecan-1-ol;2-amino-2-methyltetradecan-1-ol?
2-amino-2-hexyldodecan-1-ol;2-amino-2-methyltetradecan-1-ol has a molecular weight of 528.95 g/mol, XLogP of 9.18, 27 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-hexyldodecan-1-ol;2-amino-2-methyltetradecan-1-ol is sourced from PubChem (CID 87201189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).