2-(2-hydroxyethylamino)-2-methylhexan-3-ol

C9H21NO2 — CID 21248469

IUPAC2-(2-hydroxyethylamino)-2-methylhexan-3-ol
SMILESCCCC(O)C(C)(C)NCCO
InChIInChI=1S/C9H21NO2/c1-4-5-8(12)9(2,3)10-6-7-11/h8,10-12H,4-7H2,1-3H3
InChIKeyMSNWLHAZPHIRDP-UHFFFAOYSA-N
MW175.27 g/mol
LogP0.51
Rot. Bonds6

About 2-(2-hydroxyethylamino)-2-methylhexan-3-ol

2-(2-hydroxyethylamino)-2-methylhexan-3-ol (PubChem CID 21248469) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)-2-methylhexan-3-ol.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)-2-methylhexan-3-ol
PubChem CID21248469
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Name2-(2-hydroxyethylamino)-2-methylhexan-3-ol
SMILESCCCC(O)C(C)(C)NCCO
InChIInChI=1S/C9H21NO2/c1-4-5-8(12)9(2,3)10-6-7-11/h8,10-12H,4-7H2,1-3H3
InChIKeyMSNWLHAZPHIRDP-UHFFFAOYSA-N
XLogP0.51
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
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

(3R)-2,2-dimethylhexan-3-ol
CID 7004855
2-(2-methylpentan-2-ylamino)ethanol
CID 23342156
2-chloro-2-methylhexan-3-ol
CID 130124789
(2S)-2-tert-butyl-N-(2-hydroxyethyl)pentanamide
CID 155268171
(2R)-1,1,1-trifluoropentan-2-ol
CID 13299815
1,1,1-tris(sulfanyl)pentan-2-ol
CID 89422336
2,2-diethylhexane-1,3-diol
CID 19373836
2-(hydroxyamino)-2-methylnonadecan-3-ol
CID 123158209
2-(2-hydroxyethylamino)-2-methylhexan-1-ol
CID 146587998
(3R)-3-hydroxy-2,2-dimethylhexanoic acid
CID 45380206
2-[[(3S)-hexan-3-yl]amino]ethanol
CID 27254970
2-[[(3R)-hexan-3-yl]amino]ethanol
CID 27254966

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)-2-methylhexan-3-ol?
The IUPAC name of 2-(2-hydroxyethylamino)-2-methylhexan-3-ol (CID 21248469) is 2-(2-hydroxyethylamino)-2-methylhexan-3-ol.
What is the SMILES notation for 2-(2-hydroxyethylamino)-2-methylhexan-3-ol?
The canonical SMILES for 2-(2-hydroxyethylamino)-2-methylhexan-3-ol is CCCC(O)C(C)(C)NCCO.
What is the InChIKey of 2-(2-hydroxyethylamino)-2-methylhexan-3-ol?
The InChIKey is MSNWLHAZPHIRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2/c1-4-5-8(12)9(2,3)10-6-7-11/h8,10-12H,4-7H2,1-3H3.
What are the key properties of 2-(2-hydroxyethylamino)-2-methylhexan-3-ol?
2-(2-hydroxyethylamino)-2-methylhexan-3-ol has a molecular weight of 175.27 g/mol, XLogP of 0.51, 6 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-3-ol is sourced from PubChem (CID 21248469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).