3-[(2-bicyclo[2.2.1]hept-5-enylmethylamino)methyl]pentan-3-ol

C14H25NO — CID 65105188

IUPAC3-[(2-bicyclo[2.2.1]hept-5-enylmethylamino)methyl]pentan-3-ol
SMILESCCC(O)(CC)CNCC1CC2C=CC1C2
InChIInChI=1S/C14H25NO/c1-3-14(16,4-2)10-15-9-13-8-11-5-6-12(13)7-11/h5-6,11-13,15-16H,3-4,7-10H2,1-2H3
InChIKeyLNCJFZLDCLESLE-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.34
Rot. Bonds6

About 3-[(2-bicyclo[2.2.1]hept-5-enylmethylamino)methyl]pentan-3-ol

3-[(2-bicyclo[2.2.1]hept-5-enylmethylamino)methyl]pentan-3-ol (PubChem CID 65105188) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 3-[(2-bicyclo[2.2.1]hept-5-enylmethylamino)methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[(2-bicyclo[2.2.1]hept-5-enylmethylamino)methyl]pentan-3-ol
PubChem CID65105188
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name3-[(2-bicyclo[2.2.1]hept-5-enylmethylamino)methyl]pentan-3-ol
SMILESCCC(O)(CC)CNCC1CC2C=CC1C2
InChIInChI=1S/C14H25NO/c1-3-14(16,4-2)10-15-9-13-8-11-5-6-12(13)7-11/h5-6,11-13,15-16H,3-4,7-10H2,1-2H3
InChIKeyLNCJFZLDCLESLE-UHFFFAOYSA-N
XLogP2.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-bicyclo[2.2.1]hept-5-enylmethylamino)methyl]pentan-3-ol?
The IUPAC name of 3-[(2-bicyclo[2.2.1]hept-5-enylmethylamino)methyl]pentan-3-ol (CID 65105188) is 3-[(2-bicyclo[2.2.1]hept-5-enylmethylamino)methyl]pentan-3-ol.
What is the SMILES notation for 3-[(2-bicyclo[2.2.1]hept-5-enylmethylamino)methyl]pentan-3-ol?
The canonical SMILES for 3-[(2-bicyclo[2.2.1]hept-5-enylmethylamino)methyl]pentan-3-ol is CCC(O)(CC)CNCC1CC2C=CC1C2.
What is the InChIKey of 3-[(2-bicyclo[2.2.1]hept-5-enylmethylamino)methyl]pentan-3-ol?
The InChIKey is LNCJFZLDCLESLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-3-14(16,4-2)10-15-9-13-8-11-5-6-12(13)7-11/h5-6,11-13,15-16H,3-4,7-10H2,1-2H3.
What are the key properties of 3-[(2-bicyclo[2.2.1]hept-5-enylmethylamino)methyl]pentan-3-ol?
3-[(2-bicyclo[2.2.1]hept-5-enylmethylamino)methyl]pentan-3-ol has a molecular weight of 223.36 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bicyclo[2.2.1]hept-5-enylmethylamino)methyl]pentan-3-ol is sourced from PubChem (CID 65105188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).