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

C6H15NO2 — CID 57263326

IUPAC1-(methylamino)pentane-1,2-diol
SMILESCCCC(O)C(O)NC
InChIInChI=1S/C6H15NO2/c1-3-4-5(8)6(9)7-2/h5-9H,3-4H2,1-2H3
InChIKeySKBUBRBCOCOSNG-UHFFFAOYSA-N
MW133.19 g/mol
LogP-0.31
Rot. Bonds4

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

1-(methylamino)pentane-1,2-diol (PubChem CID 57263326) has the molecular formula C6H15NO2 and a molecular weight of 133.19 g/mol. Its IUPAC name is 1-(methylamino)pentane-1,2-diol.

Molecular Properties

Compound Name1-(methylamino)pentane-1,2-diol
PubChem CID57263326
Molecular FormulaC6H15NO2
Molecular Weight133.19 g/mol
Exact Mass133.11
IUPAC Name1-(methylamino)pentane-1,2-diol
SMILESCCCC(O)C(O)NC
InChIInChI=1S/C6H15NO2/c1-3-4-5(8)6(9)7-2/h5-9H,3-4H2,1-2H3
InChIKeySKBUBRBCOCOSNG-UHFFFAOYSA-N
XLogP-0.31
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(methylamino)pentane-1,2-diol 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

1-(methylamino)dodecane-1,2-diol
CID 20806786
octane-4,5-diol;hydrate
CID 141056272
decane-4,5,6,7-tetrol
CID 73238857
hexane-2,3-diol
CID 159913798
(2R,3R)-3-(methylamino)hexane-1,2-diol
CID 55287871
1-aminobutan-1-ol;1-(methylamino)ethanol
CID 157231135
(4S,5S)-5-bromooctan-4-ol
CID 101139699
(2S,3S)-2-aminohexan-3-ol
CID 55285025
octane-1,3,4,5-tetrol
CID 18506400
2-(hydroxymethylamino)hexan-3-ol
CID 87770295
5-butylnonan-4-ol
CID 173066814
pentadecane-4,5-diol
CID 103454846

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)pentane-1,2-diol?
The IUPAC name of 1-(methylamino)pentane-1,2-diol (CID 57263326) is 1-(methylamino)pentane-1,2-diol.
What is the SMILES notation for 1-(methylamino)pentane-1,2-diol?
The canonical SMILES for 1-(methylamino)pentane-1,2-diol is CCCC(O)C(O)NC.
What is the InChIKey of 1-(methylamino)pentane-1,2-diol?
The InChIKey is SKBUBRBCOCOSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2/c1-3-4-5(8)6(9)7-2/h5-9H,3-4H2,1-2H3.
What are the key properties of 1-(methylamino)pentane-1,2-diol?
1-(methylamino)pentane-1,2-diol has a molecular weight of 133.19 g/mol, XLogP of -0.31, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)pentane-1,2-diol is sourced from PubChem (CID 57263326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).