1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[1-(4-propan-2-ylphenyl)ethyl]ethanamine

C20H29N — CID 43784498

IUPAC1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[1-(4-propan-2-ylphenyl)ethyl]ethanamine
SMILESCC(C)c1ccc(C(C)NC(C)C2CC3C=CC2C3)cc1
InChIInChI=1S/C20H29N/c1-13(2)17-7-9-18(10-8-17)14(3)21-15(4)20-12-16-5-6-19(20)11-16/h5-10,13-16,19-21H,11-12H2,1-4H3
InChIKeyCKILTEZXEIWMLE-UHFFFAOYSA-N
MW283.46 g/mol
LogP5.06
Rot. Bonds5

About 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[1-(4-propan-2-ylphenyl)ethyl]ethanamine

1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[1-(4-propan-2-ylphenyl)ethyl]ethanamine (PubChem CID 43784498) has the molecular formula C20H29N and a molecular weight of 283.46 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[1-(4-propan-2-ylphenyl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[1-(4-propan-2-ylphenyl)ethyl]ethanamine
PubChem CID43784498
Molecular FormulaC20H29N
Molecular Weight283.46 g/mol
Exact Mass283.23
IUPAC Name1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[1-(4-propan-2-ylphenyl)ethyl]ethanamine
SMILESCC(C)c1ccc(C(C)NC(C)C2CC3C=CC2C3)cc1
InChIInChI=1S/C20H29N/c1-13(2)17-7-9-18(10-8-17)14(3)21-15(4)20-12-16-5-6-19(20)11-16/h5-10,13-16,19-21H,11-12H2,1-4H3
InChIKeyCKILTEZXEIWMLE-UHFFFAOYSA-N
XLogP5.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.46
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]ethanamine
CID 81353460
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(1R)-1-(3-methylphenyl)ethyl]ethanamine
CID 81364480
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(1-pyridin-3-ylethyl)ethanamine
CID 43768140
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]ethanamine
CID 43786850
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-propan-2-ylaniline
CID 43768990
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine
CID 43792498
2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]propanoic acid
CID 61499787
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-(4-fluorophenyl)propan-2-amine
CID 62995231
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-4-fluoroaniline
CID 43762976
(2R)-2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-3-phenylpropan-1-ol
CID 107860728
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-chloro-4-methylaniline
CID 43772670
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-4-methoxyaniline
CID 43766014

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[1-(4-propan-2-ylphenyl)ethyl]ethanamine?
The IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[1-(4-propan-2-ylphenyl)ethyl]ethanamine (CID 43784498) is 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[1-(4-propan-2-ylphenyl)ethyl]ethanamine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[1-(4-propan-2-ylphenyl)ethyl]ethanamine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[1-(4-propan-2-ylphenyl)ethyl]ethanamine is CC(C)c1ccc(C(C)NC(C)C2CC3C=CC2C3)cc1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[1-(4-propan-2-ylphenyl)ethyl]ethanamine?
The InChIKey is CKILTEZXEIWMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N/c1-13(2)17-7-9-18(10-8-17)14(3)21-15(4)20-12-16-5-6-19(20)11-16/h5-10,13-16,19-21H,11-12H2,1-4H3.
What are the key properties of 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[1-(4-propan-2-ylphenyl)ethyl]ethanamine?
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[1-(4-propan-2-ylphenyl)ethyl]ethanamine has a molecular weight of 283.46 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[1-(4-propan-2-ylphenyl)ethyl]ethanamine is sourced from PubChem (CID 43784498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).