(2S)-2-amino-3-methyloctadecane-1,3-diol

C19H41NO2 — CID 11370484

IUPAC(2S)-2-amino-3-methyloctadecane-1,3-diol
SMILESCCCCCCCCCCCCCCCC(C)(O)[C@@H](N)CO
InChIInChI=1S/C19H41NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(2,22)18(20)17-21/h18,21-22H,3-17,20H2,1-2H3/t18-,19?/m0/s1
InChIKeyKYAIPYBBWDBYST-OYKVQYDMSA-N
MW315.54 g/mol
LogP4.54
Rot. Bonds16

About (2S)-2-amino-3-methyloctadecane-1,3-diol

(2S)-2-amino-3-methyloctadecane-1,3-diol (PubChem CID 11370484) has the molecular formula C19H41NO2 and a molecular weight of 315.54 g/mol. Its IUPAC name is (2S)-2-amino-3-methyloctadecane-1,3-diol.

Molecular Properties

Compound Name(2S)-2-amino-3-methyloctadecane-1,3-diol
PubChem CID11370484
Molecular FormulaC19H41NO2
Molecular Weight315.54 g/mol
Exact Mass315.31
IUPAC Name(2S)-2-amino-3-methyloctadecane-1,3-diol
SMILESCCCCCCCCCCCCCCCC(C)(O)[C@@H](N)CO
InChIInChI=1S/C19H41NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(2,22)18(20)17-21/h18,21-22H,3-17,20H2,1-2H3/t18-,19?/m0/s1
InChIKeyKYAIPYBBWDBYST-OYKVQYDMSA-N
XLogP4.54
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.54
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-dimethyltridecan-3-ol
CID 14591139
(3S)-2,3-dimethyloctan-3-ol
CID 25021578
14-aminohexacosane-13,13-diol
CID 19607501
2-methyl-2-octyltridecan-1-ol
CID 138517447
2-dodecyl-2-methylhexadecan-1-ol
CID 138503707
2-methyl-2-pentylnonan-1-ol
CID 138503898
2-aminodecane-3,3-diol
CID 146523867
4-hexyl-4-methylundecane-1,2-diol
CID 139372551
3-amino-2,3-dimethylhenicosan-1-ol
CID 87131556
2-methyldodecan-2-ol
CID 547702
13-methylheptacosan-13-ol
CID 87343529
11-methyl-11-nonylhenicosane
CID 19690388

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyloctadecane-1,3-diol?
The IUPAC name of (2S)-2-amino-3-methyloctadecane-1,3-diol (CID 11370484) is (2S)-2-amino-3-methyloctadecane-1,3-diol.
What is the SMILES notation for (2S)-2-amino-3-methyloctadecane-1,3-diol?
The canonical SMILES for (2S)-2-amino-3-methyloctadecane-1,3-diol is CCCCCCCCCCCCCCCC(C)(O)[C@@H](N)CO.
What is the InChIKey of (2S)-2-amino-3-methyloctadecane-1,3-diol?
The InChIKey is KYAIPYBBWDBYST-OYKVQYDMSA-N. The full InChI is InChI=1S/C19H41NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(2,22)18(20)17-21/h18,21-22H,3-17,20H2,1-2H3/t18-,19?/m0/s1.
What are the key properties of (2S)-2-amino-3-methyloctadecane-1,3-diol?
(2S)-2-amino-3-methyloctadecane-1,3-diol has a molecular weight of 315.54 g/mol, XLogP of 4.54, 16 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyloctadecane-1,3-diol is sourced from PubChem (CID 11370484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).