[dodecyl(hydroxymethyl)amino]methanol

C14H31NO2 — CID 19019052

IUPAC[dodecyl(hydroxymethyl)amino]methanol
SMILESCCCCCCCCCCCCN(CO)CO
InChIInChI=1S/C14H31NO2/c1-2-3-4-5-6-7-8-9-10-11-12-15(13-16)14-17/h16-17H,2-14H2,1H3
InChIKeyITAUBAUWRBMPKA-UHFFFAOYSA-N
MW245.41 g/mol
LogP3.11
Rot. Bonds13

About [dodecyl(hydroxymethyl)amino]methanol

[dodecyl(hydroxymethyl)amino]methanol (PubChem CID 19019052) has the molecular formula C14H31NO2 and a molecular weight of 245.41 g/mol. Its IUPAC name is [dodecyl(hydroxymethyl)amino]methanol.

Molecular Properties

Compound Name[dodecyl(hydroxymethyl)amino]methanol
PubChem CID19019052
Molecular FormulaC14H31NO2
Molecular Weight245.41 g/mol
Exact Mass245.24
IUPAC Name[dodecyl(hydroxymethyl)amino]methanol
SMILESCCCCCCCCCCCCN(CO)CO
InChIInChI=1S/C14H31NO2/c1-2-3-4-5-6-7-8-9-10-11-12-15(13-16)14-17/h16-17H,2-14H2,1H3
InChIKeyITAUBAUWRBMPKA-UHFFFAOYSA-N
XLogP3.11
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 53.11
H-Bond Donors ≤ 52
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

[hexyl(hydroxymethyl)amino]methanol
CID 18004283
(diheptylamino)methanol;hydrazine
CID 162096205
N,N-dipentylhexadecan-1-amine
CID 139723811
N,N-dipentylpentadecan-1-amine
CID 139722952
N,N-didodecyltridecan-1-amine
CID 87212898
N,N-dioctyloctan-1-amine
CID 14227
N-docosyl-N-icosyldocosan-1-amine
CID 23464225
N,N-dihexyloctan-1-amine
CID 21418080
N,N,N',N'-tetra(undecyl)pentane-1,5-diamine
CID 152635971
N-pentadecyl-N-pentylpentadecan-1-amine
CID 139722928
N-heptadecyl-N-heptylheptadecan-1-amine
CID 139722683
N,N-didecyltridecan-1-amine
CID 139723202

Frequently Asked Questions

What is the IUPAC name of [dodecyl(hydroxymethyl)amino]methanol?
The IUPAC name of [dodecyl(hydroxymethyl)amino]methanol (CID 19019052) is [dodecyl(hydroxymethyl)amino]methanol.
What is the SMILES notation for [dodecyl(hydroxymethyl)amino]methanol?
The canonical SMILES for [dodecyl(hydroxymethyl)amino]methanol is CCCCCCCCCCCCN(CO)CO.
What is the InChIKey of [dodecyl(hydroxymethyl)amino]methanol?
The InChIKey is ITAUBAUWRBMPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO2/c1-2-3-4-5-6-7-8-9-10-11-12-15(13-16)14-17/h16-17H,2-14H2,1H3.
What are the key properties of [dodecyl(hydroxymethyl)amino]methanol?
[dodecyl(hydroxymethyl)amino]methanol has a molecular weight of 245.41 g/mol, XLogP of 3.11, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [dodecyl(hydroxymethyl)amino]methanol is sourced from PubChem (CID 19019052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).