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

C10H19NO — CID 114493641

IUPAC1-(cyclopent-3-en-1-ylamino)-2-methylbutan-2-ol
SMILESCCC(C)(O)CNC1CC=CC1
InChIInChI=1S/C10H19NO/c1-3-10(2,12)8-11-9-6-4-5-7-9/h4-5,9,11-12H,3,6-8H2,1-2H3
InChIKeyLPYKLQCEXGGTBD-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.46
Rot. Bonds4

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

1-(cyclopent-3-en-1-ylamino)-2-methylbutan-2-ol (PubChem CID 114493641) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-(cyclopent-3-en-1-ylamino)-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-(cyclopent-3-en-1-ylamino)-2-methylbutan-2-ol
PubChem CID114493641
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-(cyclopent-3-en-1-ylamino)-2-methylbutan-2-ol
SMILESCCC(C)(O)CNC1CC=CC1
InChIInChI=1S/C10H19NO/c1-3-10(2,12)8-11-9-6-4-5-7-9/h4-5,9,11-12H,3,6-8H2,1-2H3
InChIKeyLPYKLQCEXGGTBD-UHFFFAOYSA-N
XLogP1.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.46
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 1-(cyclopent-3-en-1-ylamino)-2-methylbutan-2-ol?
The IUPAC name of 1-(cyclopent-3-en-1-ylamino)-2-methylbutan-2-ol (CID 114493641) is 1-(cyclopent-3-en-1-ylamino)-2-methylbutan-2-ol.
What is the SMILES notation for 1-(cyclopent-3-en-1-ylamino)-2-methylbutan-2-ol?
The canonical SMILES for 1-(cyclopent-3-en-1-ylamino)-2-methylbutan-2-ol is CCC(C)(O)CNC1CC=CC1.
What is the InChIKey of 1-(cyclopent-3-en-1-ylamino)-2-methylbutan-2-ol?
The InChIKey is LPYKLQCEXGGTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-10(2,12)8-11-9-6-4-5-7-9/h4-5,9,11-12H,3,6-8H2,1-2H3.
What are the key properties of 1-(cyclopent-3-en-1-ylamino)-2-methylbutan-2-ol?
1-(cyclopent-3-en-1-ylamino)-2-methylbutan-2-ol has a molecular weight of 169.27 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopent-3-en-1-ylamino)-2-methylbutan-2-ol is sourced from PubChem (CID 114493641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).