trans-(1R,2R)-2-(but-3-ynylamino)cyclohexan-1-ol

C10H17NO — CID 102731273

IUPACtrans-(1R,2R)-2-(but-3-ynylamino)cyclohexan-1-ol
SMILESC#CCCN[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C10H17NO/c1-2-3-8-11-9-6-4-5-7-10(9)12/h1,9-12H,3-8H2/t9-,10-/m1/s1
InChIKeyZJJKEHIWRSKHNF-NXEZZACHSA-N
MW167.25 g/mol
LogP0.90
Rot. Bonds3

About trans-(1R,2R)-2-(but-3-ynylamino)cyclohexan-1-ol

trans-(1R,2R)-2-(but-3-ynylamino)cyclohexan-1-ol (PubChem CID 102731273) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is trans-(1R,2R)-2-(but-3-ynylamino)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(but-3-ynylamino)cyclohexan-1-ol
PubChem CID102731273
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Nametrans-(1R,2R)-2-(but-3-ynylamino)cyclohexan-1-ol
SMILESC#CCCN[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C10H17NO/c1-2-3-8-11-9-6-4-5-7-10(9)12/h1,9-12H,3-8H2/t9-,10-/m1/s1
InChIKeyZJJKEHIWRSKHNF-NXEZZACHSA-N
XLogP0.90
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 ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

trans-(1S,2S)-2-[2-[[(1R,2S)-2-hydroxycyclohexyl]amino]ethylamino]cyclohexan-1-ol
CID 92759264
N-but-3-ynyl-2-methylthian-3-amine
CID 79957686
trans-(1R,2R)-2-(2-aminoethylamino)cyclopentan-1-ol
CID 55289731
2-(3,3-dimethylbutylamino)cyclohexan-1-ol
CID 62359482
trans-(1R,2R)-2-(3-cyclopropylpropylamino)cyclohexan-1-ol
CID 102731748
trans-(1R,2R)-2-(pentylamino)cyclohexan-1-ol
CID 102730848
2-[(1-hydroxycyclopentyl)methylamino]cyclohexan-1-ol
CID 65108881
3-[[(1R,2R)-2-hydroxycyclohexyl]amino]propanamide
CID 93346245
trans-(1S,2S)-2-(ethylamino)cyclohexan-1-ol
CID 28660461
cis-(1R,2S)-2-(ethylamino)cyclohexan-1-ol
CID 28660465
trans-(1R,2R)-2-(2-cyclopropylethylamino)cyclopentan-1-ol
CID 102733634
trans-(1S,2S)-2-(2-cyclobutylethylamino)cyclopentan-1-ol
CID 102734088

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(but-3-ynylamino)cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(but-3-ynylamino)cyclohexan-1-ol (CID 102731273) is trans-(1R,2R)-2-(but-3-ynylamino)cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(but-3-ynylamino)cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(but-3-ynylamino)cyclohexan-1-ol is C#CCCN[C@@H]1CCCC[C@H]1O.
What is the InChIKey of trans-(1R,2R)-2-(but-3-ynylamino)cyclohexan-1-ol?
The InChIKey is ZJJKEHIWRSKHNF-NXEZZACHSA-N. The full InChI is InChI=1S/C10H17NO/c1-2-3-8-11-9-6-4-5-7-10(9)12/h1,9-12H,3-8H2/t9-,10-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(but-3-ynylamino)cyclohexan-1-ol?
trans-(1R,2R)-2-(but-3-ynylamino)cyclohexan-1-ol has a molecular weight of 167.25 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(but-3-ynylamino)cyclohexan-1-ol is sourced from PubChem (CID 102731273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).