4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)butan-2-ol

C12H21NO — CID 64927732

IUPAC4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)butan-2-ol
SMILESCC(O)CCNCC1CC2C=CC1C2
InChIInChI=1S/C12H21NO/c1-9(14)4-5-13-8-12-7-10-2-3-11(12)6-10/h2-3,9-14H,4-8H2,1H3
InChIKeyDSWFBWQIWZXBQJ-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.56
Rot. Bonds5

About 4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)butan-2-ol

4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)butan-2-ol (PubChem CID 64927732) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)butan-2-ol.

Molecular Properties

Compound Name4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)butan-2-ol
PubChem CID64927732
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)butan-2-ol
SMILESCC(O)CCNCC1CC2C=CC1C2
InChIInChI=1S/C12H21NO/c1-9(14)4-5-13-8-12-7-10-2-3-11(12)6-10/h2-3,9-14H,4-8H2,1H3
InChIKeyDSWFBWQIWZXBQJ-UHFFFAOYSA-N
XLogP1.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)butan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)butan-2-ol?
The IUPAC name of 4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)butan-2-ol (CID 64927732) is 4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)butan-2-ol.
What is the SMILES notation for 4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)butan-2-ol?
The canonical SMILES for 4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)butan-2-ol is CC(O)CCNCC1CC2C=CC1C2.
What is the InChIKey of 4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)butan-2-ol?
The InChIKey is DSWFBWQIWZXBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-9(14)4-5-13-8-12-7-10-2-3-11(12)6-10/h2-3,9-14H,4-8H2,1H3.
What are the key properties of 4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)butan-2-ol?
4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)butan-2-ol has a molecular weight of 195.31 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)butan-2-ol is sourced from PubChem (CID 64927732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).