5-(methylamino)pentane-1,4-diol

C6H15NO2 — CID 54247724

IUPAC5-(methylamino)pentane-1,4-diol
SMILESCNCC(O)CCCO
InChIInChI=1S/C6H15NO2/c1-7-5-6(9)3-2-4-8/h6-9H,2-5H2,1H3
InChIKeyPTTMDJDVDRRIHH-UHFFFAOYSA-N
MW133.19 g/mol
LogP-0.66
Rot. Bonds5

About 5-(methylamino)pentane-1,4-diol

5-(methylamino)pentane-1,4-diol (PubChem CID 54247724) has the molecular formula C6H15NO2 and a molecular weight of 133.19 g/mol. Its IUPAC name is 5-(methylamino)pentane-1,4-diol.

Molecular Properties

Compound Name5-(methylamino)pentane-1,4-diol
PubChem CID54247724
Molecular FormulaC6H15NO2
Molecular Weight133.19 g/mol
Exact Mass133.11
IUPAC Name5-(methylamino)pentane-1,4-diol
SMILESCNCC(O)CCCO
InChIInChI=1S/C6H15NO2/c1-7-5-6(9)3-2-4-8/h6-9H,2-5H2,1H3
InChIKeyPTTMDJDVDRRIHH-UHFFFAOYSA-N
XLogP-0.66
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-(methylamino)pentane-1,4-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)pentane-1,4-diol?
The IUPAC name of 5-(methylamino)pentane-1,4-diol (CID 54247724) is 5-(methylamino)pentane-1,4-diol.
What is the SMILES notation for 5-(methylamino)pentane-1,4-diol?
The canonical SMILES for 5-(methylamino)pentane-1,4-diol is CNCC(O)CCCO.
What is the InChIKey of 5-(methylamino)pentane-1,4-diol?
The InChIKey is PTTMDJDVDRRIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2/c1-7-5-6(9)3-2-4-8/h6-9H,2-5H2,1H3.
What are the key properties of 5-(methylamino)pentane-1,4-diol?
5-(methylamino)pentane-1,4-diol has a molecular weight of 133.19 g/mol, XLogP of -0.66, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)pentane-1,4-diol is sourced from PubChem (CID 54247724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).