4-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-3-methylbutan-1-ol

C14H25NO — CID 66092239

IUPAC4-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-3-methylbutan-1-ol
SMILESCC(CCO)CNC(C)C1CC2C=CC1C2
InChIInChI=1S/C14H25NO/c1-10(5-6-16)9-15-11(2)14-8-12-3-4-13(14)7-12/h3-4,10-16H,5-9H2,1-2H3
InChIKeyAEYDLCUJQTZRSU-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.20
Rot. Bonds6

About 4-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-3-methylbutan-1-ol

4-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-3-methylbutan-1-ol (PubChem CID 66092239) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 4-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name4-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-3-methylbutan-1-ol
PubChem CID66092239
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name4-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-3-methylbutan-1-ol
SMILESCC(CCO)CNC(C)C1CC2C=CC1C2
InChIInChI=1S/C14H25NO/c1-10(5-6-16)9-15-11(2)14-8-12-3-4-13(14)7-12/h3-4,10-16H,5-9H2,1-2H3
InChIKeyAEYDLCUJQTZRSU-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
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 4-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-3-methylbutan-1-ol?
The IUPAC name of 4-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-3-methylbutan-1-ol (CID 66092239) is 4-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-3-methylbutan-1-ol.
What is the SMILES notation for 4-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-3-methylbutan-1-ol?
The canonical SMILES for 4-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-3-methylbutan-1-ol is CC(CCO)CNC(C)C1CC2C=CC1C2.
What is the InChIKey of 4-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-3-methylbutan-1-ol?
The InChIKey is AEYDLCUJQTZRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-10(5-6-16)9-15-11(2)14-8-12-3-4-13(14)7-12/h3-4,10-16H,5-9H2,1-2H3.
What are the key properties of 4-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-3-methylbutan-1-ol?
4-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-3-methylbutan-1-ol has a molecular weight of 223.36 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-3-methylbutan-1-ol is sourced from PubChem (CID 66092239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).