[1-(1-amino-2-methylpropyl)cyclopent-3-en-1-yl]methanol

C10H19NO — CID 122154864

IUPAC[1-(1-amino-2-methylpropyl)cyclopent-3-en-1-yl]methanol
SMILESCC(C)C(N)C1(CO)CC=CC1
InChIInChI=1S/C10H19NO/c1-8(2)9(11)10(7-12)5-3-4-6-10/h3-4,8-9,12H,5-7,11H2,1-2H3
InChIKeyWBHWRRUSKKWWGX-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.30
Rot. Bonds3

About [1-(1-amino-2-methylpropyl)cyclopent-3-en-1-yl]methanol

[1-(1-amino-2-methylpropyl)cyclopent-3-en-1-yl]methanol (PubChem CID 122154864) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is [1-(1-amino-2-methylpropyl)cyclopent-3-en-1-yl]methanol.

Molecular Properties

Compound Name[1-(1-amino-2-methylpropyl)cyclopent-3-en-1-yl]methanol
PubChem CID122154864
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name[1-(1-amino-2-methylpropyl)cyclopent-3-en-1-yl]methanol
SMILESCC(C)C(N)C1(CO)CC=CC1
InChIInChI=1S/C10H19NO/c1-8(2)9(11)10(7-12)5-3-4-6-10/h3-4,8-9,12H,5-7,11H2,1-2H3
InChIKeyWBHWRRUSKKWWGX-UHFFFAOYSA-N
XLogP1.30
TPSA46.25 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 ≤ 51.30
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-(1-amino-2-methylpropyl)cyclopent-3-en-1-yl]methanol?
The IUPAC name of [1-(1-amino-2-methylpropyl)cyclopent-3-en-1-yl]methanol (CID 122154864) is [1-(1-amino-2-methylpropyl)cyclopent-3-en-1-yl]methanol.
What is the SMILES notation for [1-(1-amino-2-methylpropyl)cyclopent-3-en-1-yl]methanol?
The canonical SMILES for [1-(1-amino-2-methylpropyl)cyclopent-3-en-1-yl]methanol is CC(C)C(N)C1(CO)CC=CC1.
What is the InChIKey of [1-(1-amino-2-methylpropyl)cyclopent-3-en-1-yl]methanol?
The InChIKey is WBHWRRUSKKWWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-8(2)9(11)10(7-12)5-3-4-6-10/h3-4,8-9,12H,5-7,11H2,1-2H3.
What are the key properties of [1-(1-amino-2-methylpropyl)cyclopent-3-en-1-yl]methanol?
[1-(1-amino-2-methylpropyl)cyclopent-3-en-1-yl]methanol has a molecular weight of 169.27 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-amino-2-methylpropyl)cyclopent-3-en-1-yl]methanol is sourced from PubChem (CID 122154864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).