3-(cyclopent-2-en-1-ylamino)-2-methylbutan-2-ol

C10H19NO — CID 164654666

IUPAC3-(cyclopent-2-en-1-ylamino)-2-methylbutan-2-ol
SMILESCC(NC1C=CCC1)C(C)(C)O
InChIInChI=1S/C10H19NO/c1-8(10(2,3)12)11-9-6-4-5-7-9/h4,6,8-9,11-12H,5,7H2,1-3H3
InChIKeyNYVIIZMHWXEFED-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.45
Rot. Bonds3

About 3-(cyclopent-2-en-1-ylamino)-2-methylbutan-2-ol

3-(cyclopent-2-en-1-ylamino)-2-methylbutan-2-ol (PubChem CID 164654666) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-(cyclopent-2-en-1-ylamino)-2-methylbutan-2-ol.

Molecular Properties

Compound Name3-(cyclopent-2-en-1-ylamino)-2-methylbutan-2-ol
PubChem CID164654666
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-(cyclopent-2-en-1-ylamino)-2-methylbutan-2-ol
SMILESCC(NC1C=CCC1)C(C)(C)O
InChIInChI=1S/C10H19NO/c1-8(10(2,3)12)11-9-6-4-5-7-9/h4,6,8-9,11-12H,5,7H2,1-3H3
InChIKeyNYVIIZMHWXEFED-UHFFFAOYSA-N
XLogP1.45
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopent-2-en-1-ylamino)-2-methylbutan-2-ol?
The IUPAC name of 3-(cyclopent-2-en-1-ylamino)-2-methylbutan-2-ol (CID 164654666) is 3-(cyclopent-2-en-1-ylamino)-2-methylbutan-2-ol.
What is the SMILES notation for 3-(cyclopent-2-en-1-ylamino)-2-methylbutan-2-ol?
The canonical SMILES for 3-(cyclopent-2-en-1-ylamino)-2-methylbutan-2-ol is CC(NC1C=CCC1)C(C)(C)O.
What is the InChIKey of 3-(cyclopent-2-en-1-ylamino)-2-methylbutan-2-ol?
The InChIKey is NYVIIZMHWXEFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-8(10(2,3)12)11-9-6-4-5-7-9/h4,6,8-9,11-12H,5,7H2,1-3H3.
What are the key properties of 3-(cyclopent-2-en-1-ylamino)-2-methylbutan-2-ol?
3-(cyclopent-2-en-1-ylamino)-2-methylbutan-2-ol has a molecular weight of 169.27 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopent-2-en-1-ylamino)-2-methylbutan-2-ol is sourced from PubChem (CID 164654666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).