2-aminopentadecane-1,1-diol;hydrochloride

C15H34ClNO2 — CID 173417689

IUPAC2-aminopentadecane-1,1-diol;hydrochloride
SMILESCCCCCCCCCCCCCC(N)C(O)O.Cl
InChIInChI=1S/C15H33NO2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(16)15(17)18;/h14-15,17-18H,2-13,16H2,1H3;1H
InChIKeyHYKUZDWTMTUWDY-UHFFFAOYSA-N
MW295.89 g/mol
LogP3.75
Rot. Bonds13

About 2-aminopentadecane-1,1-diol;hydrochloride

2-aminopentadecane-1,1-diol;hydrochloride (PubChem CID 173417689) has the molecular formula C15H34ClNO2 and a molecular weight of 295.89 g/mol. Its IUPAC name is 2-aminopentadecane-1,1-diol;hydrochloride.

Molecular Properties

Compound Name2-aminopentadecane-1,1-diol;hydrochloride
PubChem CID173417689
Molecular FormulaC15H34ClNO2
Molecular Weight295.89 g/mol
Exact Mass295.23
IUPAC Name2-aminopentadecane-1,1-diol;hydrochloride
SMILESCCCCCCCCCCCCCC(N)C(O)O.Cl
InChIInChI=1S/C15H33NO2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(16)15(17)18;/h14-15,17-18H,2-13,16H2,1H3;1H
InChIKeyHYKUZDWTMTUWDY-UHFFFAOYSA-N
XLogP3.75
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.89
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-aminopentadecane-1,1-diol;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

2-aminononadecane-1,1-diol;hydrobromide
CID 175114917
(2S)-2-aminoheptane-1,1-diol
CID 166719915
hexadecane-6,7-diamine
CID 57245820
tritriacontane-16,17-diamine
CID 57106039
hexatriacontane-18,19-diamine
CID 57054547
13-aminoheptacosan-12-ol
CID 118194809
3-aminoicosan-2-ol
CID 19964089
3-aminooctan-2-ol
CID 14271184
(2S,3S)-3-aminoheptadecane-1,2-diol
CID 10085469
hexadecane-4,5-diamine
CID 57310882
1-aminohexadecan-1-ol
CID 21475561
henicosane-8,14-diamine;dihydrochloride
CID 170909168

Frequently Asked Questions

What is the IUPAC name of 2-aminopentadecane-1,1-diol;hydrochloride?
The IUPAC name of 2-aminopentadecane-1,1-diol;hydrochloride (CID 173417689) is 2-aminopentadecane-1,1-diol;hydrochloride.
What is the SMILES notation for 2-aminopentadecane-1,1-diol;hydrochloride?
The canonical SMILES for 2-aminopentadecane-1,1-diol;hydrochloride is CCCCCCCCCCCCCC(N)C(O)O.Cl.
What is the InChIKey of 2-aminopentadecane-1,1-diol;hydrochloride?
The InChIKey is HYKUZDWTMTUWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(16)15(17)18;/h14-15,17-18H,2-13,16H2,1H3;1H.
What are the key properties of 2-aminopentadecane-1,1-diol;hydrochloride?
2-aminopentadecane-1,1-diol;hydrochloride has a molecular weight of 295.89 g/mol, XLogP of 3.75, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopentadecane-1,1-diol;hydrochloride is sourced from PubChem (CID 173417689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).