2-(2-hydroxyethylamino)-2-methylhexan-1-ol

C9H21NO2 — CID 146587998

IUPAC2-(2-hydroxyethylamino)-2-methylhexan-1-ol
SMILESCCCCC(C)(CO)NCCO
InChIInChI=1S/C9H21NO2/c1-3-4-5-9(2,8-12)10-6-7-11/h10-12H,3-8H2,1-2H3
InChIKeyUIBKEBQTXBMUMV-UHFFFAOYSA-N
MW175.27 g/mol
LogP0.51
Rot. Bonds7

About 2-(2-hydroxyethylamino)-2-methylhexan-1-ol

2-(2-hydroxyethylamino)-2-methylhexan-1-ol (PubChem CID 146587998) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)-2-methylhexan-1-ol.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)-2-methylhexan-1-ol
PubChem CID146587998
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Name2-(2-hydroxyethylamino)-2-methylhexan-1-ol
SMILESCCCCC(C)(CO)NCCO
InChIInChI=1S/C9H21NO2/c1-3-4-5-9(2,8-12)10-6-7-11/h10-12H,3-8H2,1-2H3
InChIKeyUIBKEBQTXBMUMV-UHFFFAOYSA-N
XLogP0.51
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-6-octoxy-2-(propylamino)hexan-1-ol
CID 64811651
N-heptyl-5-methylnonan-5-amine
CID 126560493
2-(hexylamino)-2-methylbutan-1-ol
CID 64550569
3-methyl-3-(octylamino)pentane-1,5-diol
CID 54557477
6-(dipropylamino)-2-methyl-2-(propylamino)hexan-1-ol
CID 64796522
2-dodecyl-2-(2-hydroxyethylamino)tetradecan-1-ol
CID 19798932
2-(2-methylpentan-2-ylamino)ethanol
CID 23342156
6-[2,2-dimethylpropyl(methyl)amino]-2-methyl-2-(propylamino)hexan-1-ol
CID 64825383
2-(ethylamino)-6-hexoxy-2-methylhexan-1-ol
CID 64811638
2-(6-hydroxyhexylamino)-2-methylpropane-1,3-diol
CID 103873312
2-methyl-2-(propylamino)-4-propylsulfanylbutan-1-ol
CID 64818839
2-methyl-2-(propylamino)-6-(3,3,3-trifluoropropoxy)hexan-1-ol
CID 82959384

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)-2-methylhexan-1-ol?
The IUPAC name of 2-(2-hydroxyethylamino)-2-methylhexan-1-ol (CID 146587998) is 2-(2-hydroxyethylamino)-2-methylhexan-1-ol.
What is the SMILES notation for 2-(2-hydroxyethylamino)-2-methylhexan-1-ol?
The canonical SMILES for 2-(2-hydroxyethylamino)-2-methylhexan-1-ol is CCCCC(C)(CO)NCCO.
What is the InChIKey of 2-(2-hydroxyethylamino)-2-methylhexan-1-ol?
The InChIKey is UIBKEBQTXBMUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2/c1-3-4-5-9(2,8-12)10-6-7-11/h10-12H,3-8H2,1-2H3.
What are the key properties of 2-(2-hydroxyethylamino)-2-methylhexan-1-ol?
2-(2-hydroxyethylamino)-2-methylhexan-1-ol has a molecular weight of 175.27 g/mol, XLogP of 0.51, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)-2-methylhexan-1-ol is sourced from PubChem (CID 146587998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).