1-(2-bicyclo[2.2.1]hept-5-enylmethylamino)hexan-2-ol

C14H25NO — CID 20649856

IUPAC1-(2-bicyclo[2.2.1]hept-5-enylmethylamino)hexan-2-ol
SMILESCCCCC(O)CNCC1CC2C=CC1C2
InChIInChI=1S/C14H25NO/c1-2-3-4-14(16)10-15-9-13-8-11-5-6-12(13)7-11/h5-6,11-16H,2-4,7-10H2,1H3
InChIKeyJYMZMPJZFFGRMV-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.34
Rot. Bonds7

About 1-(2-bicyclo[2.2.1]hept-5-enylmethylamino)hexan-2-ol

1-(2-bicyclo[2.2.1]hept-5-enylmethylamino)hexan-2-ol (PubChem CID 20649856) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]hept-5-enylmethylamino)hexan-2-ol.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]hept-5-enylmethylamino)hexan-2-ol
PubChem CID20649856
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name1-(2-bicyclo[2.2.1]hept-5-enylmethylamino)hexan-2-ol
SMILESCCCCC(O)CNCC1CC2C=CC1C2
InChIInChI=1S/C14H25NO/c1-2-3-4-14(16)10-15-9-13-8-11-5-6-12(13)7-11/h5-6,11-16H,2-4,7-10H2,1H3
InChIKeyJYMZMPJZFFGRMV-UHFFFAOYSA-N
XLogP2.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-bicyclo[2.2.1]hept-5-enylmethylamino)hexan-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 1-(2-bicyclo[2.2.1]hept-5-enylmethylamino)hexan-2-ol?
The IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enylmethylamino)hexan-2-ol (CID 20649856) is 1-(2-bicyclo[2.2.1]hept-5-enylmethylamino)hexan-2-ol.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]hept-5-enylmethylamino)hexan-2-ol?
The canonical SMILES for 1-(2-bicyclo[2.2.1]hept-5-enylmethylamino)hexan-2-ol is CCCCC(O)CNCC1CC2C=CC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]hept-5-enylmethylamino)hexan-2-ol?
The InChIKey is JYMZMPJZFFGRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-2-3-4-14(16)10-15-9-13-8-11-5-6-12(13)7-11/h5-6,11-16H,2-4,7-10H2,1H3.
What are the key properties of 1-(2-bicyclo[2.2.1]hept-5-enylmethylamino)hexan-2-ol?
1-(2-bicyclo[2.2.1]hept-5-enylmethylamino)hexan-2-ol has a molecular weight of 223.36 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]hept-5-enylmethylamino)hexan-2-ol is sourced from PubChem (CID 20649856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).