2-amino-3-(dodecylamino)propan-1-ol

C15H34N2O — CID 88670185

IUPAC2-amino-3-(dodecylamino)propan-1-ol
SMILESCCCCCCCCCCCCNCC(N)CO
InChIInChI=1S/C15H34N2O/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15(16)14-18/h15,17-18H,2-14,16H2,1H3
InChIKeyUUIHYIZMXCNGOI-UHFFFAOYSA-N
MW258.45 g/mol
LogP2.82
Rot. Bonds14

About 2-amino-3-(dodecylamino)propan-1-ol

2-amino-3-(dodecylamino)propan-1-ol (PubChem CID 88670185) has the molecular formula C15H34N2O and a molecular weight of 258.45 g/mol. Its IUPAC name is 2-amino-3-(dodecylamino)propan-1-ol.

Molecular Properties

Compound Name2-amino-3-(dodecylamino)propan-1-ol
PubChem CID88670185
Molecular FormulaC15H34N2O
Molecular Weight258.45 g/mol
Exact Mass258.27
IUPAC Name2-amino-3-(dodecylamino)propan-1-ol
SMILESCCCCCCCCCCCCNCC(N)CO
InChIInChI=1S/C15H34N2O/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15(16)14-18/h15,17-18H,2-14,16H2,1H3
InChIKeyUUIHYIZMXCNGOI-UHFFFAOYSA-N
XLogP2.82
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.45
LogP ≤ 52.82
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

(2S)-3-(dodecylamino)propane-1,2-diol
CID 98095013
3-(heptylamino)-2-methylpropan-1-ol
CID 65031965
(2R)-3-(dodecylamino)propane-1,2-diol
CID 98095014
2-(2-aminohexylamino)ethanol
CID 83960481
(2S)-1-N-propyldecane-1,2-diamine
CID 135223941
5-methoxy-1-N-octylpentane-1,2-diamine
CID 113337399
2-(hexadecylamino)ethane-1,1-diol
CID 87604065
2-(pentacosylamino)ethane-1,1-diol
CID 87068456
(2R)-1-N-butylbutane-1,2-diamine
CID 130522167
2-aminononadecan-1-ol
CID 87201322
(2S)-2-aminoundecan-1-ol
CID 98129192
(2R,3R,4R,5S)-6-(hexylamino)hexane-1,2,3,4,5-pentol;6-(hexylamino)hexane-1,2,3,4,5-pentol
CID 159342301

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(dodecylamino)propan-1-ol?
The IUPAC name of 2-amino-3-(dodecylamino)propan-1-ol (CID 88670185) is 2-amino-3-(dodecylamino)propan-1-ol.
What is the SMILES notation for 2-amino-3-(dodecylamino)propan-1-ol?
The canonical SMILES for 2-amino-3-(dodecylamino)propan-1-ol is CCCCCCCCCCCCNCC(N)CO.
What is the InChIKey of 2-amino-3-(dodecylamino)propan-1-ol?
The InChIKey is UUIHYIZMXCNGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2O/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15(16)14-18/h15,17-18H,2-14,16H2,1H3.
What are the key properties of 2-amino-3-(dodecylamino)propan-1-ol?
2-amino-3-(dodecylamino)propan-1-ol has a molecular weight of 258.45 g/mol, XLogP of 2.82, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(dodecylamino)propan-1-ol is sourced from PubChem (CID 88670185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).