2-[hexan-2-yl(methyl)amino]ethanol

C9H21NO — CID 88539909

IUPAC2-[hexan-2-yl(methyl)amino]ethanol
SMILESCCCCC(C)N(C)CCO
InChIInChI=1S/C9H21NO/c1-4-5-6-9(2)10(3)7-8-11/h9,11H,4-8H2,1-3H3
InChIKeyRBXRFPWDFBZODT-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.49
Rot. Bonds6

About 2-[hexan-2-yl(methyl)amino]ethanol

2-[hexan-2-yl(methyl)amino]ethanol (PubChem CID 88539909) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 2-[hexan-2-yl(methyl)amino]ethanol.

Molecular Properties

Compound Name2-[hexan-2-yl(methyl)amino]ethanol
PubChem CID88539909
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name2-[hexan-2-yl(methyl)amino]ethanol
SMILESCCCCC(C)N(C)CCO
InChIInChI=1S/C9H21NO/c1-4-5-6-9(2)10(3)7-8-11/h9,11H,4-8H2,1-3H3
InChIKeyRBXRFPWDFBZODT-UHFFFAOYSA-N
XLogP1.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-dodecyl-N-methyltridecan-2-amine
CID 87784054
2-[hexacosan-13-yl(methyl)amino]ethanol
CID 87981075
2-(dimethylamino)ethanol;heptane-1,3-diol
CID 174958117
2-methylhexan-1-ol
CID 159157237
2-[butyl(2-methylpentyl)amino]ethanol
CID 62266090
4-N-butyl-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine
CID 62424956
4-methyloctan-1-ol;propan-2-ol
CID 18620283
2-[2-butylhexyl(2-hydroxyethyl)amino]ethanol
CID 143083923
3-[2-hydroxyethyl(methyl)amino]butanethioamide
CID 60961415
N-hexan-2-yl-N-methylthiohydroxylamine
CID 142548768
N,N-dimethylmethanamine;3-methylheptane
CID 143169890
(2S)-N,N-dibutylhexan-2-amine
CID 124633708

Frequently Asked Questions

What is the IUPAC name of 2-[hexan-2-yl(methyl)amino]ethanol?
The IUPAC name of 2-[hexan-2-yl(methyl)amino]ethanol (CID 88539909) is 2-[hexan-2-yl(methyl)amino]ethanol.
What is the SMILES notation for 2-[hexan-2-yl(methyl)amino]ethanol?
The canonical SMILES for 2-[hexan-2-yl(methyl)amino]ethanol is CCCCC(C)N(C)CCO.
What is the InChIKey of 2-[hexan-2-yl(methyl)amino]ethanol?
The InChIKey is RBXRFPWDFBZODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-4-5-6-9(2)10(3)7-8-11/h9,11H,4-8H2,1-3H3.
What are the key properties of 2-[hexan-2-yl(methyl)amino]ethanol?
2-[hexan-2-yl(methyl)amino]ethanol has a molecular weight of 159.27 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hexan-2-yl(methyl)amino]ethanol is sourced from PubChem (CID 88539909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).