[12-(hydroxymethylamino)dodecylamino]methanol

C14H32N2O2 — CID 20588216

IUPAC[12-(hydroxymethylamino)dodecylamino]methanol
SMILESOCNCCCCCCCCCCCCNCO
InChIInChI=1S/C14H32N2O2/c17-13-15-11-9-7-5-3-1-2-4-6-8-10-12-16-14-18/h15-18H,1-14H2
InChIKeySCEXGYFCFMBNTF-UHFFFAOYSA-N
MW260.42 g/mol
LogP1.97
Rot. Bonds15

About [12-(hydroxymethylamino)dodecylamino]methanol

[12-(hydroxymethylamino)dodecylamino]methanol (PubChem CID 20588216) has the molecular formula C14H32N2O2 and a molecular weight of 260.42 g/mol. Its IUPAC name is [12-(hydroxymethylamino)dodecylamino]methanol.

Molecular Properties

Compound Name[12-(hydroxymethylamino)dodecylamino]methanol
PubChem CID20588216
Molecular FormulaC14H32N2O2
Molecular Weight260.42 g/mol
Exact Mass260.25
IUPAC Name[12-(hydroxymethylamino)dodecylamino]methanol
SMILESOCNCCCCCCCCCCCCNCO
InChIInChI=1S/C14H32N2O2/c17-13-15-11-9-7-5-3-1-2-4-6-8-10-12-16-14-18/h15-18H,1-14H2
InChIKeySCEXGYFCFMBNTF-UHFFFAOYSA-N
XLogP1.97
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 51.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

(pentylamino)methanol;hydrate
CID 174681478
[[(Z)-octadec-9-enyl]amino]methanol
CID 143220768
12-(12-hydroxydodecylamino)dodecan-1-ol
CID 18618691
butylaminomethanol;propane
CID 169245417
4-[3-[4-[3-(4-hydroxybutylamino)propylamino]butylamino]propylamino]butan-1-ol
CID 178169165
sodium 4-(hydroxymethylamino)butanoate
CID 141391824
[2-(methylamino)ethylamino]methanol
CID 58963756
8-(undecylamino)octan-1-ol
CID 139305047
methanol;propylaminomethanol;hydrate
CID 173447379
2-(4-hydroxybutylamino)acetic acid
CID 22121765
5-(prop-2-enylamino)pentan-1-ol
CID 62228256
N,N'-bis[(Z)-2-aminobut-2-enyl]dodecane-1,12-diamine
CID 88714609

Frequently Asked Questions

What is the IUPAC name of [12-(hydroxymethylamino)dodecylamino]methanol?
The IUPAC name of [12-(hydroxymethylamino)dodecylamino]methanol (CID 20588216) is [12-(hydroxymethylamino)dodecylamino]methanol.
What is the SMILES notation for [12-(hydroxymethylamino)dodecylamino]methanol?
The canonical SMILES for [12-(hydroxymethylamino)dodecylamino]methanol is OCNCCCCCCCCCCCCNCO.
What is the InChIKey of [12-(hydroxymethylamino)dodecylamino]methanol?
The InChIKey is SCEXGYFCFMBNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O2/c17-13-15-11-9-7-5-3-1-2-4-6-8-10-12-16-14-18/h15-18H,1-14H2.
What are the key properties of [12-(hydroxymethylamino)dodecylamino]methanol?
[12-(hydroxymethylamino)dodecylamino]methanol has a molecular weight of 260.42 g/mol, XLogP of 1.97, 15 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [12-(hydroxymethylamino)dodecylamino]methanol is sourced from PubChem (CID 20588216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).