2-[[(1S,3R)-1-hydroxy-3-methylcyclohexyl]methylamino]-N-methylacetamide

C11H22N2O2 — CID 96936567

IUPAC2-[[(1S,3R)-1-hydroxy-3-methylcyclohexyl]methylamino]-N-methylacetamide
SMILESCNC(=O)CNC[C@]1(O)CCC[C@@H](C)C1
InChIInChI=1S/C11H22N2O2/c1-9-4-3-5-11(15,6-9)8-13-7-10(14)12-2/h9,13,15H,3-8H2,1-2H3,(H,12,14)/t9-,11+/m1/s1
InChIKeyTXUOIWGPNKKLFL-KOLCDFICSA-N
MW214.31 g/mol
LogP0.26
Rot. Bonds4

About 2-[[(1S,3R)-1-hydroxy-3-methylcyclohexyl]methylamino]-N-methylacetamide

2-[[(1S,3R)-1-hydroxy-3-methylcyclohexyl]methylamino]-N-methylacetamide (PubChem CID 96936567) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-[[(1S,3R)-1-hydroxy-3-methylcyclohexyl]methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[(1S,3R)-1-hydroxy-3-methylcyclohexyl]methylamino]-N-methylacetamide
PubChem CID96936567
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-[[(1S,3R)-1-hydroxy-3-methylcyclohexyl]methylamino]-N-methylacetamide
SMILESCNC(=O)CNC[C@]1(O)CCC[C@@H](C)C1
InChIInChI=1S/C11H22N2O2/c1-9-4-3-5-11(15,6-9)8-13-7-10(14)12-2/h9,13,15H,3-8H2,1-2H3,(H,12,14)/t9-,11+/m1/s1
InChIKeyTXUOIWGPNKKLFL-KOLCDFICSA-N
XLogP0.26
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-hydroxy-3-methylcyclohexyl)methylamino]-N-(3-methylbutan-2-yl)acetamide
CID 65120934
1-(azepan-1-yl)-2-[(1-hydroxy-3-methylcyclohexyl)methylamino]ethanone
CID 65120584
N-cyclopropyl-2-[(1-hydroxy-3-methylcyclohexyl)methylamino]-N-methylacetamide
CID 65120474
1-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]cycloheptan-1-ol
CID 65120782
N-(4-bromophenyl)-2-[(1-hydroxy-3-methylcyclohexyl)methylamino]acetamide
CID 65120579
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 79039779
N-(2-bromophenyl)-2-[(1-hydroxy-3-methylcyclohexyl)methylamino]acetamide
CID 65120471
N-[[(1R,3S)-1-hydroxy-3-methylcyclohexyl]methyl]acetamide
CID 36689616
(1-hydroxy-3-methylcyclohexyl)methylurea
CID 63374230
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylbutanamide
CID 65119480
5-[(1-hydroxy-3-methylcyclohexyl)methylamino]pentanoic acid
CID 103254347
2-[(1-hydroxy-3-methylcyclohexyl)methylamino]ethanesulfonamide
CID 114385265

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S,3R)-1-hydroxy-3-methylcyclohexyl]methylamino]-N-methylacetamide?
The IUPAC name of 2-[[(1S,3R)-1-hydroxy-3-methylcyclohexyl]methylamino]-N-methylacetamide (CID 96936567) is 2-[[(1S,3R)-1-hydroxy-3-methylcyclohexyl]methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[[(1S,3R)-1-hydroxy-3-methylcyclohexyl]methylamino]-N-methylacetamide?
The canonical SMILES for 2-[[(1S,3R)-1-hydroxy-3-methylcyclohexyl]methylamino]-N-methylacetamide is CNC(=O)CNC[C@]1(O)CCC[C@@H](C)C1.
What is the InChIKey of 2-[[(1S,3R)-1-hydroxy-3-methylcyclohexyl]methylamino]-N-methylacetamide?
The InChIKey is TXUOIWGPNKKLFL-KOLCDFICSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-9-4-3-5-11(15,6-9)8-13-7-10(14)12-2/h9,13,15H,3-8H2,1-2H3,(H,12,14)/t9-,11+/m1/s1.
What are the key properties of 2-[[(1S,3R)-1-hydroxy-3-methylcyclohexyl]methylamino]-N-methylacetamide?
2-[[(1S,3R)-1-hydroxy-3-methylcyclohexyl]methylamino]-N-methylacetamide has a molecular weight of 214.31 g/mol, XLogP of 0.26, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S,3R)-1-hydroxy-3-methylcyclohexyl]methylamino]-N-methylacetamide is sourced from PubChem (CID 96936567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).