3-[[(1S,2S)-2-hydroxycyclohexyl]amino]-N,N-dimethylpropanamide

C11H22N2O2 — CID 102731154

IUPAC3-[[(1S,2S)-2-hydroxycyclohexyl]amino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCN[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C11H22N2O2/c1-13(2)11(15)7-8-12-9-5-3-4-6-10(9)14/h9-10,12,14H,3-8H2,1-2H3/t9-,10-/m0/s1
InChIKeyQCGXFGOMWCTEOZ-UWVGGRQHSA-N
MW214.31 g/mol
LogP0.36
Rot. Bonds4

About 3-[[(1S,2S)-2-hydroxycyclohexyl]amino]-N,N-dimethylpropanamide

3-[[(1S,2S)-2-hydroxycyclohexyl]amino]-N,N-dimethylpropanamide (PubChem CID 102731154) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-[[(1S,2S)-2-hydroxycyclohexyl]amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[[(1S,2S)-2-hydroxycyclohexyl]amino]-N,N-dimethylpropanamide
PubChem CID102731154
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name3-[[(1S,2S)-2-hydroxycyclohexyl]amino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCN[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C11H22N2O2/c1-13(2)11(15)7-8-12-9-5-3-4-6-10(9)14/h9-10,12,14H,3-8H2,1-2H3/t9-,10-/m0/s1
InChIKeyQCGXFGOMWCTEOZ-UWVGGRQHSA-N
XLogP0.36
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(1R,2R)-2-hydroxycyclohexyl]amino]propanamide
CID 93346245
methyl 3-[[(1S,2S)-2-hydroxycyclohexyl]amino]propanoate
CID 102731054
trans-(1S,2S)-2-[2-[[(1R,2S)-2-hydroxycyclohexyl]amino]ethylamino]cyclohexan-1-ol
CID 92759264
2-(3-methylbut-3-enylamino)cyclohexan-1-ol
CID 114472241
tert-butyl 3-[(2-hydroxycyclohexyl)amino]propanoate
CID 103249866
3-[[(1R,2R)-2-hydroxycyclopentyl]amino]-N-propan-2-ylpropanamide
CID 102734013
N-ethyl-2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-N-methylacetamide
CID 94415851
2-[2-[ethyl(methyl)amino]ethylamino]cyclohexan-1-ol
CID 62636782
2-[(2-hydroxycycloheptyl)amino]ethylurea
CID 83121315
N,N-dimethyl-4-[(2-methylcyclopentyl)amino]butanamide
CID 63278012
4-[[(1S,2S)-2-hydroxycyclopentyl]amino]butanamide
CID 102733144
3-(cyclopropylamino)-N-[(1R,2R)-2-hydroxycyclohexyl]propanamide
CID 107222070

Frequently Asked Questions

What is the IUPAC name of 3-[[(1S,2S)-2-hydroxycyclohexyl]amino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[[(1S,2S)-2-hydroxycyclohexyl]amino]-N,N-dimethylpropanamide (CID 102731154) is 3-[[(1S,2S)-2-hydroxycyclohexyl]amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[[(1S,2S)-2-hydroxycyclohexyl]amino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[[(1S,2S)-2-hydroxycyclohexyl]amino]-N,N-dimethylpropanamide is CN(C)C(=O)CCN[C@H]1CCCC[C@@H]1O.
What is the InChIKey of 3-[[(1S,2S)-2-hydroxycyclohexyl]amino]-N,N-dimethylpropanamide?
The InChIKey is QCGXFGOMWCTEOZ-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-13(2)11(15)7-8-12-9-5-3-4-6-10(9)14/h9-10,12,14H,3-8H2,1-2H3/t9-,10-/m0/s1.
What are the key properties of 3-[[(1S,2S)-2-hydroxycyclohexyl]amino]-N,N-dimethylpropanamide?
3-[[(1S,2S)-2-hydroxycyclohexyl]amino]-N,N-dimethylpropanamide has a molecular weight of 214.31 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1S,2S)-2-hydroxycyclohexyl]amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 102731154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).