1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine

C15H25NO — CID 54917118

IUPAC1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
SMILESCC(NCCC1CCCO1)C1CC2C=CC1C2
InChIInChI=1S/C15H25NO/c1-11(15-10-12-4-5-13(15)9-12)16-7-6-14-3-2-8-17-14/h4-5,11-16H,2-3,6-10H2,1H3
InChIKeyOUTPJSDGRYDSFS-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.75
Rot. Bonds5

About 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine

1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine (PubChem CID 54917118) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
PubChem CID54917118
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
SMILESCC(NCCC1CCCO1)C1CC2C=CC1C2
InChIInChI=1S/C15H25NO/c1-11(15-10-12-4-5-13(15)9-12)16-7-6-14-3-2-8-17-14/h4-5,11-16H,2-3,6-10H2,1H3
InChIKeyOUTPJSDGRYDSFS-UHFFFAOYSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-propan-2-yloxypropan-1-amine
CID 43225252
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-cyclohexyloxypropan-1-amine
CID 43225560
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-ethoxypropan-1-amine
CID 43765296
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(oxolan-2-ylmethyl)ethanamine
CID 43765463
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-methoxypropan-1-amine
CID 43769582
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 43770031
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-(2-methylpropoxy)propan-1-amine
CID 43770114
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-(cyclopropylmethoxy)propan-1-amine
CID 43770791
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-cyclohexyloxypropan-1-amine
CID 43770845
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine
CID 43770906
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-ethenoxypropan-1-amine
CID 43771247
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-propan-2-yloxypropan-1-amine
CID 43771383

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine?
The IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine (CID 54917118) is 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine is CC(NCCC1CCCO1)C1CC2C=CC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine?
The InChIKey is OUTPJSDGRYDSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-11(15-10-12-4-5-13(15)9-12)16-7-6-14-3-2-8-17-14/h4-5,11-16H,2-3,6-10H2,1H3.
What are the key properties of 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine?
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine has a molecular weight of 235.37 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 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-enyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine is sourced from PubChem (CID 54917118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).