trans-(1R,2R)-2-[[(2S)-1-methoxypropan-2-yl]amino]cyclohexane-1-carboxamide

C11H22N2O2 — CID 124829798

IUPACtrans-(1R,2R)-2-[[(2S)-1-methoxypropan-2-yl]amino]cyclohexane-1-carboxamide
SMILESCOC[C@H](C)N[C@@H]1CCCC[C@H]1C(N)=O
InChIInChI=1S/C11H22N2O2/c1-8(7-15-2)13-10-6-4-3-5-9(10)11(12)14/h8-10,13H,3-7H2,1-2H3,(H2,12,14)/t8-,9+,10+/m0/s1
InChIKeyWMYJSTABVBGVRY-IVZWLZJFSA-N
MW214.31 g/mol
LogP0.65
Rot. Bonds5

About trans-(1R,2R)-2-[[(2S)-1-methoxypropan-2-yl]amino]cyclohexane-1-carboxamide

trans-(1R,2R)-2-[[(2S)-1-methoxypropan-2-yl]amino]cyclohexane-1-carboxamide (PubChem CID 124829798) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is trans-(1R,2R)-2-[[(2S)-1-methoxypropan-2-yl]amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[[(2S)-1-methoxypropan-2-yl]amino]cyclohexane-1-carboxamide
PubChem CID124829798
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Nametrans-(1R,2R)-2-[[(2S)-1-methoxypropan-2-yl]amino]cyclohexane-1-carboxamide
SMILESCOC[C@H](C)N[C@@H]1CCCC[C@H]1C(N)=O
InChIInChI=1S/C11H22N2O2/c1-8(7-15-2)13-10-6-4-3-5-9(10)11(12)14/h8-10,13H,3-7H2,1-2H3,(H2,12,14)/t8-,9+,10+/m0/s1
InChIKeyWMYJSTABVBGVRY-IVZWLZJFSA-N
XLogP0.65
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze trans-(1R,2R)-2-[[(2S)-1-methoxypropan-2-yl]amino]cyclohexane-1-carboxamide with MolForge

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Related Compounds

2-(4-methylpentan-2-ylamino)cyclopentane-1-carboxamide
CID 104587488
2-(chloromethyl)-N-(1-methoxypropan-2-yl)cyclohexan-1-amine
CID 106365311
cis-(1R,2S)-2-[[(2R)-1-morpholin-4-ylpropan-2-yl]amino]cyclohexane-1-carboxamide
CID 129429926
2-methoxy-N-(1-methoxypropan-2-yl)cyclohexan-1-amine
CID 2850085
cis-(1R,2S)-2-methoxy-N-[(2R)-1-methoxypropan-2-yl]cyclohexan-1-amine
CID 11871353
2-(1-methoxypropan-2-ylamino)cyclopentan-1-ol
CID 60713672
2-(methylamino)cyclohexane-1-carboxamide
CID 72740884
cis-(1S,2R)-2-(methylamino)cyclohexane-1-carboxamide
CID 58168971
2-(butan-2-ylamino)cyclohexane-1-carboxylic acid
CID 79694697
2-(1-methoxypropan-2-ylamino)cyclopentane-1-carbonitrile
CID 62741099
trans-(1R,2R)-N-(1-methoxypropan-2-yl)-2-methylcyclopropan-1-amine
CID 130921581
2-[(2-hydroxycyclohexyl)amino]-N-(1-methoxypropan-2-yl)acetamide
CID 62360031

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[[(2S)-1-methoxypropan-2-yl]amino]cyclohexane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-[[(2S)-1-methoxypropan-2-yl]amino]cyclohexane-1-carboxamide (CID 124829798) is trans-(1R,2R)-2-[[(2S)-1-methoxypropan-2-yl]amino]cyclohexane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-[[(2S)-1-methoxypropan-2-yl]amino]cyclohexane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-[[(2S)-1-methoxypropan-2-yl]amino]cyclohexane-1-carboxamide is COC[C@H](C)N[C@@H]1CCCC[C@H]1C(N)=O.
What is the InChIKey of trans-(1R,2R)-2-[[(2S)-1-methoxypropan-2-yl]amino]cyclohexane-1-carboxamide?
The InChIKey is WMYJSTABVBGVRY-IVZWLZJFSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-8(7-15-2)13-10-6-4-3-5-9(10)11(12)14/h8-10,13H,3-7H2,1-2H3,(H2,12,14)/t8-,9+,10+/m0/s1.
What are the key properties of trans-(1R,2R)-2-[[(2S)-1-methoxypropan-2-yl]amino]cyclohexane-1-carboxamide?
trans-(1R,2R)-2-[[(2S)-1-methoxypropan-2-yl]amino]cyclohexane-1-carboxamide has a molecular weight of 214.31 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[[(2S)-1-methoxypropan-2-yl]amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 124829798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).