3-(aminomethyl)tridecane-1,3-diol

C14H31NO2 — CID 174422631

IUPAC3-(aminomethyl)tridecane-1,3-diol
SMILESCCCCCCCCCCC(O)(CN)CCO
InChIInChI=1S/C14H31NO2/c1-2-3-4-5-6-7-8-9-10-14(17,13-15)11-12-16/h16-17H,2-13,15H2,1H3
InChIKeyUMSPZBINROFEPP-UHFFFAOYSA-N
MW245.41 g/mol
LogP2.59
Rot. Bonds12

About 3-(aminomethyl)tridecane-1,3-diol

3-(aminomethyl)tridecane-1,3-diol (PubChem CID 174422631) has the molecular formula C14H31NO2 and a molecular weight of 245.41 g/mol. Its IUPAC name is 3-(aminomethyl)tridecane-1,3-diol.

Molecular Properties

Compound Name3-(aminomethyl)tridecane-1,3-diol
PubChem CID174422631
Molecular FormulaC14H31NO2
Molecular Weight245.41 g/mol
Exact Mass245.24
IUPAC Name3-(aminomethyl)tridecane-1,3-diol
SMILESCCCCCCCCCCC(O)(CN)CCO
InChIInChI=1S/C14H31NO2/c1-2-3-4-5-6-7-8-9-10-14(17,13-15)11-12-16/h16-17H,2-13,15H2,1H3
InChIKeyUMSPZBINROFEPP-UHFFFAOYSA-N
XLogP2.59
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(aminomethyl)tridecane-1,3-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

17-(aminomethyl)tritriacontan-17-ol
CID 87248679
3-butyldecane-1,3-diol
CID 88924042
3-propyloctane-1,3-diol
CID 88923981
4-decyltetradecane-1,4-diol
CID 170650453
7-hexylhexadecan-7-ol
CID 141253911
9-octyloctadecan-9-ol
CID 150674168
7-pentylpentadecan-7-ol
CID 12913436
2-heptylhexane-1,2,6-triol
CID 22481106
1-amino-3-(aminomethyl)heptan-3-ol
CID 141174970
2-butyltetradecane-1,2-diol
CID 88924076
2-propyloctane-1,2-diol
CID 88923937
1-aminooctadecane-2,2-diol
CID 87604063

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)tridecane-1,3-diol?
The IUPAC name of 3-(aminomethyl)tridecane-1,3-diol (CID 174422631) is 3-(aminomethyl)tridecane-1,3-diol.
What is the SMILES notation for 3-(aminomethyl)tridecane-1,3-diol?
The canonical SMILES for 3-(aminomethyl)tridecane-1,3-diol is CCCCCCCCCCC(O)(CN)CCO.
What is the InChIKey of 3-(aminomethyl)tridecane-1,3-diol?
The InChIKey is UMSPZBINROFEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO2/c1-2-3-4-5-6-7-8-9-10-14(17,13-15)11-12-16/h16-17H,2-13,15H2,1H3.
What are the key properties of 3-(aminomethyl)tridecane-1,3-diol?
3-(aminomethyl)tridecane-1,3-diol has a molecular weight of 245.41 g/mol, XLogP of 2.59, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)tridecane-1,3-diol is sourced from PubChem (CID 174422631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).