2-[ethyl-[(1S,2S)-2-methylcyclohexyl]amino]ethanol

C11H23NO — CID 129411602

IUPAC2-[ethyl-[(1S,2S)-2-methylcyclohexyl]amino]ethanol
SMILESCCN(CCO)[C@H]1CCCC[C@@H]1C
InChIInChI=1S/C11H23NO/c1-3-12(8-9-13)11-7-5-4-6-10(11)2/h10-11,13H,3-9H2,1-2H3/t10-,11-/m0/s1
InChIKeyNOGHWGCAPSNIAS-QWRGUYRKSA-N
MW185.31 g/mol
LogP1.88
Rot. Bonds4

About 2-[ethyl-[(1S,2S)-2-methylcyclohexyl]amino]ethanol

2-[ethyl-[(1S,2S)-2-methylcyclohexyl]amino]ethanol (PubChem CID 129411602) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 2-[ethyl-[(1S,2S)-2-methylcyclohexyl]amino]ethanol.

Molecular Properties

Compound Name2-[ethyl-[(1S,2S)-2-methylcyclohexyl]amino]ethanol
PubChem CID129411602
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name2-[ethyl-[(1S,2S)-2-methylcyclohexyl]amino]ethanol
SMILESCCN(CCO)[C@H]1CCCC[C@@H]1C
InChIInChI=1S/C11H23NO/c1-3-12(8-9-13)11-7-5-4-6-10(11)2/h10-11,13H,3-9H2,1-2H3/t10-,11-/m0/s1
InChIKeyNOGHWGCAPSNIAS-QWRGUYRKSA-N
XLogP1.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[ethyl-(2-methylcyclohexyl)amino]ethanol
CID 89249208
4-[ethyl-(2-methylcyclohexyl)amino]butan-1-ol
CID 71071089
trans-(1R,2R)-N,N-diethyl-2-methylcyclohexan-1-amine
CID 15852265
2-[butyl-(2-methylcyclopentyl)amino]ethanol
CID 89249359
2-[ethyl-(2-methylcyclohexyl)amino]acetic acid
CID 65063082
4-[butyl-(2-methylcyclooctyl)amino]butan-1-ol
CID 71071404
trans-(1S,2S)-2-[2-hydroxyethyl(propyl)amino]cyclohexan-1-ol
CID 102731968
2-[cyclopropyl-[(2-methylcyclohexyl)methyl]amino]ethanol
CID 104517048
2-[ethyl-(4-ethylcyclohexyl)amino]ethanol
CID 64774254
1-[ethyl-(2-methylcyclohexyl)amino]ethanol
CID 89249210
ethyl 2-[(2-ethoxy-2-oxoethyl)-(2-methylcyclohexyl)amino]acetate
CID 171623835
2-[butyl-(2-ethylcyclohexyl)amino]ethanol
CID 63861495

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(1S,2S)-2-methylcyclohexyl]amino]ethanol?
The IUPAC name of 2-[ethyl-[(1S,2S)-2-methylcyclohexyl]amino]ethanol (CID 129411602) is 2-[ethyl-[(1S,2S)-2-methylcyclohexyl]amino]ethanol.
What is the SMILES notation for 2-[ethyl-[(1S,2S)-2-methylcyclohexyl]amino]ethanol?
The canonical SMILES for 2-[ethyl-[(1S,2S)-2-methylcyclohexyl]amino]ethanol is CCN(CCO)[C@H]1CCCC[C@@H]1C.
What is the InChIKey of 2-[ethyl-[(1S,2S)-2-methylcyclohexyl]amino]ethanol?
The InChIKey is NOGHWGCAPSNIAS-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H23NO/c1-3-12(8-9-13)11-7-5-4-6-10(11)2/h10-11,13H,3-9H2,1-2H3/t10-,11-/m0/s1.
What are the key properties of 2-[ethyl-[(1S,2S)-2-methylcyclohexyl]amino]ethanol?
2-[ethyl-[(1S,2S)-2-methylcyclohexyl]amino]ethanol has a molecular weight of 185.31 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(1S,2S)-2-methylcyclohexyl]amino]ethanol is sourced from PubChem (CID 129411602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).