[(1R,2R)-2-(prop-2-ynylamino)cyclohexyl]methanol

C10H17NO — CID 130608522

IUPAC[(1R,2R)-2-(prop-2-ynylamino)cyclohexyl]methanol
SMILESC#CCN[C@@H]1CCCC[C@H]1CO
InChIInChI=1S/C10H17NO/c1-2-7-11-10-6-4-3-5-9(10)8-12/h1,9-12H,3-8H2/t9-,10+/m0/s1
InChIKeyYNRTWQAQHVACLB-VHSXEESVSA-N
MW167.25 g/mol
LogP0.76
Rot. Bonds3

About [(1R,2R)-2-(prop-2-ynylamino)cyclohexyl]methanol

[(1R,2R)-2-(prop-2-ynylamino)cyclohexyl]methanol (PubChem CID 130608522) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is [(1R,2R)-2-(prop-2-ynylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[(1R,2R)-2-(prop-2-ynylamino)cyclohexyl]methanol
PubChem CID130608522
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name[(1R,2R)-2-(prop-2-ynylamino)cyclohexyl]methanol
SMILESC#CCN[C@@H]1CCCC[C@H]1CO
InChIInChI=1S/C10H17NO/c1-2-7-11-10-6-4-3-5-9(10)8-12/h1,9-12H,3-8H2/t9-,10+/m0/s1
InChIKeyYNRTWQAQHVACLB-VHSXEESVSA-N
XLogP0.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(hydroxymethyl)cyclopentyl]-2-(prop-2-ynylamino)acetamide
CID 106361263
[(1R,2R)-2-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
CID 99610237
3-[[2-(hydroxymethyl)cyclohexyl]amino]-2-methylpropan-1-ol
CID 104934327
N-[2-(hydroxymethyl)cyclohexyl]prop-2-ynamide
CID 103860466
[2-[2-(dimethylamino)ethylamino]cyclohexyl]methanol
CID 104934564
3-[[2-(hydroxymethyl)cyclohexyl]amino]propanenitrile
CID 106361139
2-[[(1R,2S)-2-(hydroxymethyl)cyclopentyl]amino]ethanol
CID 131230127
[2-[(4-methylcyclohexyl)methylamino]cyclohexyl]methanol
CID 103872929
[(1S)-2-(methylamino)cyclopentyl]methanol
CID 123545278
[2-[(3-methylcyclobutyl)amino]cyclohexyl]methanol
CID 104859822
3-[[2-(hydroxymethyl)cyclopentyl]amino]-2-methylpropanenitrile
CID 106360707
3-[[2-(hydroxymethyl)cyclopentyl]amino]-2-methylpropan-1-ol
CID 106360784

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-(prop-2-ynylamino)cyclohexyl]methanol?
The IUPAC name of [(1R,2R)-2-(prop-2-ynylamino)cyclohexyl]methanol (CID 130608522) is [(1R,2R)-2-(prop-2-ynylamino)cyclohexyl]methanol.
What is the SMILES notation for [(1R,2R)-2-(prop-2-ynylamino)cyclohexyl]methanol?
The canonical SMILES for [(1R,2R)-2-(prop-2-ynylamino)cyclohexyl]methanol is C#CCN[C@@H]1CCCC[C@H]1CO.
What is the InChIKey of [(1R,2R)-2-(prop-2-ynylamino)cyclohexyl]methanol?
The InChIKey is YNRTWQAQHVACLB-VHSXEESVSA-N. The full InChI is InChI=1S/C10H17NO/c1-2-7-11-10-6-4-3-5-9(10)8-12/h1,9-12H,3-8H2/t9-,10+/m0/s1.
What are the key properties of [(1R,2R)-2-(prop-2-ynylamino)cyclohexyl]methanol?
[(1R,2R)-2-(prop-2-ynylamino)cyclohexyl]methanol has a molecular weight of 167.25 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-(prop-2-ynylamino)cyclohexyl]methanol is sourced from PubChem (CID 130608522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).