1-(methylamino)dodecane-1,2-diol

C13H29NO2 — CID 20806786

IUPAC1-(methylamino)dodecane-1,2-diol
SMILESCCCCCCCCCCC(O)C(O)NC
InChIInChI=1S/C13H29NO2/c1-3-4-5-6-7-8-9-10-11-12(15)13(16)14-2/h12-16H,3-11H2,1-2H3
InChIKeyKCAHGPJEUKDUCR-UHFFFAOYSA-N
MW231.38 g/mol
LogP2.42
Rot. Bonds11

About 1-(methylamino)dodecane-1,2-diol

1-(methylamino)dodecane-1,2-diol (PubChem CID 20806786) has the molecular formula C13H29NO2 and a molecular weight of 231.38 g/mol. Its IUPAC name is 1-(methylamino)dodecane-1,2-diol.

Molecular Properties

Compound Name1-(methylamino)dodecane-1,2-diol
PubChem CID20806786
Molecular FormulaC13H29NO2
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC Name1-(methylamino)dodecane-1,2-diol
SMILESCCCCCCCCCCC(O)C(O)NC
InChIInChI=1S/C13H29NO2/c1-3-4-5-6-7-8-9-10-11-12(15)13(16)14-2/h12-16H,3-11H2,1-2H3
InChIKeyKCAHGPJEUKDUCR-UHFFFAOYSA-N
XLogP2.42
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 52.42
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'}

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Related Compounds

1-(methylamino)pentane-1,2-diol
CID 57263326
nonacosane-14,15-diol
CID 91509633
(8S,9S,12R,13R)-icosane-8,9,12,13-tetrol
CID 88872017
16-methylheptadecane-7,8-diol
CID 118508542
pentadecane-4,5-diol
CID 103454846
(2R,3S)-dodecane-2,3-diol
CID 163394646
1-aminooctadecane-1,2-diol
CID 54498715
(2R,3R)-undecane-1,2,3-triol
CID 15641124
7-methylhexadecan-8-ol
CID 122652609
(2S,3S)-decane-1,2,3-triol
CID 12619492
8-methyltetradecan-7-ol
CID 88908615
1-(methylamino)dodecane-2,3,4,5,6-pentol
CID 140845274

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)dodecane-1,2-diol?
The IUPAC name of 1-(methylamino)dodecane-1,2-diol (CID 20806786) is 1-(methylamino)dodecane-1,2-diol.
What is the SMILES notation for 1-(methylamino)dodecane-1,2-diol?
The canonical SMILES for 1-(methylamino)dodecane-1,2-diol is CCCCCCCCCCC(O)C(O)NC.
What is the InChIKey of 1-(methylamino)dodecane-1,2-diol?
The InChIKey is KCAHGPJEUKDUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2/c1-3-4-5-6-7-8-9-10-11-12(15)13(16)14-2/h12-16H,3-11H2,1-2H3.
What are the key properties of 1-(methylamino)dodecane-1,2-diol?
1-(methylamino)dodecane-1,2-diol has a molecular weight of 231.38 g/mol, XLogP of 2.42, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)dodecane-1,2-diol is sourced from PubChem (CID 20806786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).