2-(6-hydroxyhexylamino)-2-methylpropane-1,3-diol

C10H23NO3 — CID 103873312

IUPAC2-(6-hydroxyhexylamino)-2-methylpropane-1,3-diol
SMILESCC(CO)(CO)NCCCCCCO
InChIInChI=1S/C10H23NO3/c1-10(8-13,9-14)11-6-4-2-3-5-7-12/h11-14H,2-9H2,1H3
InChIKeyRATQCKJOKMYYAL-UHFFFAOYSA-N
MW205.30 g/mol
LogP-0.13
Rot. Bonds9

About 2-(6-hydroxyhexylamino)-2-methylpropane-1,3-diol

2-(6-hydroxyhexylamino)-2-methylpropane-1,3-diol (PubChem CID 103873312) has the molecular formula C10H23NO3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-(6-hydroxyhexylamino)-2-methylpropane-1,3-diol.

Molecular Properties

Compound Name2-(6-hydroxyhexylamino)-2-methylpropane-1,3-diol
PubChem CID103873312
Molecular FormulaC10H23NO3
Molecular Weight205.30 g/mol
Exact Mass205.17
IUPAC Name2-(6-hydroxyhexylamino)-2-methylpropane-1,3-diol
SMILESCC(CO)(CO)NCCCCCCO
InChIInChI=1S/C10H23NO3/c1-10(8-13,9-14)11-6-4-2-3-5-7-12/h11-14H,2-9H2,1H3
InChIKeyRATQCKJOKMYYAL-UHFFFAOYSA-N
XLogP-0.13
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 5-0.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

12-(tert-butylamino)dodecan-1-ol
CID 159274393
2-(hexylamino)-2-methylbutan-1-ol
CID 64550569
2-(hydroxymethyl)-2-(5-hydroxypentylamino)propane-1,3-diol
CID 107852422
5-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]pentanoic acid
CID 103261470
6-(2-methylbut-3-yn-2-ylamino)hexan-1-ol
CID 107703422
3-methyl-3-(octylamino)pentane-1,5-diol
CID 54557477
2-ethyl-2-(4-hydroxybutylamino)propane-1,3-diol
CID 107865357
4-[(1-amino-2,5-dimethylhexan-2-yl)amino]butan-1-ol
CID 106841450
2-(2-hydroxyethylamino)-2-methylhexan-1-ol
CID 146587998
6-(2,2-dimethylpropylamino)hexan-1-ol
CID 115909001
2-[(4-hydroxybutylamino)methyl]-2-methylpropane-1,3-diol
CID 106841911
12-(12-hydroxydodecylamino)dodecan-1-ol
CID 18618691

Frequently Asked Questions

What is the IUPAC name of 2-(6-hydroxyhexylamino)-2-methylpropane-1,3-diol?
The IUPAC name of 2-(6-hydroxyhexylamino)-2-methylpropane-1,3-diol (CID 103873312) is 2-(6-hydroxyhexylamino)-2-methylpropane-1,3-diol.
What is the SMILES notation for 2-(6-hydroxyhexylamino)-2-methylpropane-1,3-diol?
The canonical SMILES for 2-(6-hydroxyhexylamino)-2-methylpropane-1,3-diol is CC(CO)(CO)NCCCCCCO.
What is the InChIKey of 2-(6-hydroxyhexylamino)-2-methylpropane-1,3-diol?
The InChIKey is RATQCKJOKMYYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3/c1-10(8-13,9-14)11-6-4-2-3-5-7-12/h11-14H,2-9H2,1H3.
What are the key properties of 2-(6-hydroxyhexylamino)-2-methylpropane-1,3-diol?
2-(6-hydroxyhexylamino)-2-methylpropane-1,3-diol has a molecular weight of 205.30 g/mol, XLogP of -0.13, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-hydroxyhexylamino)-2-methylpropane-1,3-diol is sourced from PubChem (CID 103873312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).