1-(6-bicyclo[3.2.0]hept-3-enylamino)-2-methylbutan-2-ol

C12H21NO — CID 65107917

IUPAC1-(6-bicyclo[3.2.0]hept-3-enylamino)-2-methylbutan-2-ol
SMILESCCC(C)(O)CNC1CC2CC=CC21
InChIInChI=1S/C12H21NO/c1-3-12(2,14)8-13-11-7-9-5-4-6-10(9)11/h4,6,9-11,13-14H,3,5,7-8H2,1-2H3
InChIKeyIXRJIZVDDZDFJB-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.70
Rot. Bonds4

About 1-(6-bicyclo[3.2.0]hept-3-enylamino)-2-methylbutan-2-ol

1-(6-bicyclo[3.2.0]hept-3-enylamino)-2-methylbutan-2-ol (PubChem CID 65107917) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-(6-bicyclo[3.2.0]hept-3-enylamino)-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-(6-bicyclo[3.2.0]hept-3-enylamino)-2-methylbutan-2-ol
PubChem CID65107917
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name1-(6-bicyclo[3.2.0]hept-3-enylamino)-2-methylbutan-2-ol
SMILESCCC(C)(O)CNC1CC2CC=CC21
InChIInChI=1S/C12H21NO/c1-3-12(2,14)8-13-11-7-9-5-4-6-10(9)11/h4,6,9-11,13-14H,3,5,7-8H2,1-2H3
InChIKeyIXRJIZVDDZDFJB-UHFFFAOYSA-N
XLogP1.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.70
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-(6-bicyclo[3.2.0]hept-3-enylamino)-2-methylbutan-2-ol?
The IUPAC name of 1-(6-bicyclo[3.2.0]hept-3-enylamino)-2-methylbutan-2-ol (CID 65107917) is 1-(6-bicyclo[3.2.0]hept-3-enylamino)-2-methylbutan-2-ol.
What is the SMILES notation for 1-(6-bicyclo[3.2.0]hept-3-enylamino)-2-methylbutan-2-ol?
The canonical SMILES for 1-(6-bicyclo[3.2.0]hept-3-enylamino)-2-methylbutan-2-ol is CCC(C)(O)CNC1CC2CC=CC21.
What is the InChIKey of 1-(6-bicyclo[3.2.0]hept-3-enylamino)-2-methylbutan-2-ol?
The InChIKey is IXRJIZVDDZDFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-3-12(2,14)8-13-11-7-9-5-4-6-10(9)11/h4,6,9-11,13-14H,3,5,7-8H2,1-2H3.
What are the key properties of 1-(6-bicyclo[3.2.0]hept-3-enylamino)-2-methylbutan-2-ol?
1-(6-bicyclo[3.2.0]hept-3-enylamino)-2-methylbutan-2-ol has a molecular weight of 195.31 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bicyclo[3.2.0]hept-3-enylamino)-2-methylbutan-2-ol is sourced from PubChem (CID 65107917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).