2-(but-3-ynylamino)-1-methylcyclopentan-1-ol

C10H17NO — CID 130532242

IUPAC2-(but-3-ynylamino)-1-methylcyclopentan-1-ol
SMILESC#CCCNC1CCCC1(C)O
InChIInChI=1S/C10H17NO/c1-3-4-8-11-9-6-5-7-10(9,2)12/h1,9,11-12H,4-8H2,2H3
InChIKeyCXZSQZSPPXEYIT-UHFFFAOYSA-N
MW167.25 g/mol
LogP0.90
Rot. Bonds3

About 2-(but-3-ynylamino)-1-methylcyclopentan-1-ol

2-(but-3-ynylamino)-1-methylcyclopentan-1-ol (PubChem CID 130532242) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 2-(but-3-ynylamino)-1-methylcyclopentan-1-ol.

Molecular Properties

Compound Name2-(but-3-ynylamino)-1-methylcyclopentan-1-ol
PubChem CID130532242
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name2-(but-3-ynylamino)-1-methylcyclopentan-1-ol
SMILESC#CCCNC1CCCC1(C)O
InChIInChI=1S/C10H17NO/c1-3-4-8-11-9-6-5-7-10(9,2)12/h1,9,11-12H,4-8H2,2H3
InChIKeyCXZSQZSPPXEYIT-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 2-(but-3-ynylamino)-1-methylcyclopentan-1-ol?
The IUPAC name of 2-(but-3-ynylamino)-1-methylcyclopentan-1-ol (CID 130532242) is 2-(but-3-ynylamino)-1-methylcyclopentan-1-ol.
What is the SMILES notation for 2-(but-3-ynylamino)-1-methylcyclopentan-1-ol?
The canonical SMILES for 2-(but-3-ynylamino)-1-methylcyclopentan-1-ol is C#CCCNC1CCCC1(C)O.
What is the InChIKey of 2-(but-3-ynylamino)-1-methylcyclopentan-1-ol?
The InChIKey is CXZSQZSPPXEYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-4-8-11-9-6-5-7-10(9,2)12/h1,9,11-12H,4-8H2,2H3.
What are the key properties of 2-(but-3-ynylamino)-1-methylcyclopentan-1-ol?
2-(but-3-ynylamino)-1-methylcyclopentan-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 2-(but-3-ynylamino)-1-methylcyclopentan-1-ol is sourced from PubChem (CID 130532242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).