2-(but-3-ynylamino)-1,2-dimethylcyclopentan-1-ol

C11H19NO — CID 130657313

IUPAC2-(but-3-ynylamino)-1,2-dimethylcyclopentan-1-ol
SMILESC#CCCNC1(C)CCCC1(C)O
InChIInChI=1S/C11H19NO/c1-4-5-9-12-10(2)7-6-8-11(10,3)13/h1,12-13H,5-9H2,2-3H3
InChIKeyRUKMBEPHFYVIOT-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.29
Rot. Bonds3

About 2-(but-3-ynylamino)-1,2-dimethylcyclopentan-1-ol

2-(but-3-ynylamino)-1,2-dimethylcyclopentan-1-ol (PubChem CID 130657313) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-(but-3-ynylamino)-1,2-dimethylcyclopentan-1-ol.

Molecular Properties

Compound Name2-(but-3-ynylamino)-1,2-dimethylcyclopentan-1-ol
PubChem CID130657313
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name2-(but-3-ynylamino)-1,2-dimethylcyclopentan-1-ol
SMILESC#CCCNC1(C)CCCC1(C)O
InChIInChI=1S/C11H19NO/c1-4-5-9-12-10(2)7-6-8-11(10,3)13/h1,12-13H,5-9H2,2-3H3
InChIKeyRUKMBEPHFYVIOT-UHFFFAOYSA-N
XLogP1.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.29
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

2-(1,1-Difluoropropan-2-ylamino)-1,2-dimethylcyclopentan-1-ol
CID 130663207
2-[(2,2-Difluoropropyl)amino]-1,2-dimethylcyclopentan-1-ol
CID 164654705
2-(But-3-ynylamino)-1-methylcyclopentan-1-ol
CID 130532242
1-Methyl-2-(pent-3-ynylamino)cyclopentan-1-ol
CID 130532277
1-Methyl-2-(4-methylpent-1-yn-3-ylamino)cyclopentan-1-ol
CID 130532293
1,2-Dimethyl-2-(2-methylprop-2-enylamino)cyclopentan-1-ol
CID 130624700
1,2-Dimethyl-2-[(1-methylcyclopropyl)methylamino]cyclopentan-1-ol
CID 130646174
1,2-Dimethyl-2-(prop-2-ynylamino)cyclopentan-1-ol
CID 130648669
2-(2-Aminoethylamino)-1,2-dimethylcyclopentan-1-ol
CID 130674389
2-(But-2-ynylamino)-1,2-dimethylcyclopentan-1-ol
CID 130674390
2-(Cyclobutylamino)-1,2-dimethylcyclopentan-1-ol
CID 130691582
2-[2-Aminopropyl(methyl)amino]-1,2-dimethylcyclopentan-1-ol
CID 130700472

Frequently Asked Questions

What is the IUPAC name of 2-(but-3-ynylamino)-1,2-dimethylcyclopentan-1-ol?
The IUPAC name of 2-(but-3-ynylamino)-1,2-dimethylcyclopentan-1-ol (CID 130657313) is 2-(but-3-ynylamino)-1,2-dimethylcyclopentan-1-ol.
What is the SMILES notation for 2-(but-3-ynylamino)-1,2-dimethylcyclopentan-1-ol?
The canonical SMILES for 2-(but-3-ynylamino)-1,2-dimethylcyclopentan-1-ol is C#CCCNC1(C)CCCC1(C)O.
What is the InChIKey of 2-(but-3-ynylamino)-1,2-dimethylcyclopentan-1-ol?
The InChIKey is RUKMBEPHFYVIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-4-5-9-12-10(2)7-6-8-11(10,3)13/h1,12-13H,5-9H2,2-3H3.
What are the key properties of 2-(but-3-ynylamino)-1,2-dimethylcyclopentan-1-ol?
2-(but-3-ynylamino)-1,2-dimethylcyclopentan-1-ol has a molecular weight of 181.28 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(but-3-ynylamino)-1,2-dimethylcyclopentan-1-ol is sourced from PubChem (CID 130657313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).