2-(aminomethyl)-2-tetradecylpropane-1,3-diol

C18H39NO2 — CID 139977748

IUPAC2-(aminomethyl)-2-tetradecylpropane-1,3-diol
SMILESCCCCCCCCCCCCCCC(CN)(CO)CO
InChIInChI=1S/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(15-19,16-20)17-21/h20-21H,2-17,19H2,1H3
InChIKeyCCHLIPDJGLBCJB-UHFFFAOYSA-N
MW301.52 g/mol
LogP4.01
Rot. Bonds16

About 2-(aminomethyl)-2-tetradecylpropane-1,3-diol

2-(aminomethyl)-2-tetradecylpropane-1,3-diol (PubChem CID 139977748) has the molecular formula C18H39NO2 and a molecular weight of 301.52 g/mol. Its IUPAC name is 2-(aminomethyl)-2-tetradecylpropane-1,3-diol.

Molecular Properties

Compound Name2-(aminomethyl)-2-tetradecylpropane-1,3-diol
PubChem CID139977748
Molecular FormulaC18H39NO2
Molecular Weight301.52 g/mol
Exact Mass301.30
IUPAC Name2-(aminomethyl)-2-tetradecylpropane-1,3-diol
SMILESCCCCCCCCCCCCCCC(CN)(CO)CO
InChIInChI=1S/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(15-19,16-20)17-21/h20-21H,2-17,19H2,1H3
InChIKeyCCHLIPDJGLBCJB-UHFFFAOYSA-N
XLogP4.01
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.52
LogP ≤ 54.01
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

2-(aminomethyl)-2-butylpropane-1,3-diol
CID 139977749
2-decyl-2-ethylpropane-1,3-diamine
CID 102189049
2,2-di(undecyl)tridecan-1-ol
CID 176610401
2-(aminomethyl)-2-octylpropane-1,3-diamine
CID 13067190
2,2-dioctyldecan-1-ol
CID 87374856
2,6-didodecyl-2,6-bis(hydroxymethyl)heptane-1,7-diol
CID 142452979
2-decyl-2-(hydroxymethyl)propane-1,3-diol;phosphorous acid
CID 87965517
2-butyl-2-ethyldodecan-1-amine
CID 55195465
2-pentyl-2-propylpropane-1,3-diol
CID 18188395
2-(aminomethyl)-2-(2-methylpropyl)hexan-1-ol
CID 106507831
8-hexyl-8-pentylhexadecane
CID 521602
19-hexadecyl-19-nonylnonatriacontane
CID 90913331

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-tetradecylpropane-1,3-diol?
The IUPAC name of 2-(aminomethyl)-2-tetradecylpropane-1,3-diol (CID 139977748) is 2-(aminomethyl)-2-tetradecylpropane-1,3-diol.
What is the SMILES notation for 2-(aminomethyl)-2-tetradecylpropane-1,3-diol?
The canonical SMILES for 2-(aminomethyl)-2-tetradecylpropane-1,3-diol is CCCCCCCCCCCCCCC(CN)(CO)CO.
What is the InChIKey of 2-(aminomethyl)-2-tetradecylpropane-1,3-diol?
The InChIKey is CCHLIPDJGLBCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(15-19,16-20)17-21/h20-21H,2-17,19H2,1H3.
What are the key properties of 2-(aminomethyl)-2-tetradecylpropane-1,3-diol?
2-(aminomethyl)-2-tetradecylpropane-1,3-diol has a molecular weight of 301.52 g/mol, XLogP of 4.01, 16 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-tetradecylpropane-1,3-diol is sourced from PubChem (CID 139977748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).