1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(1-pyridin-3-ylethyl)ethanamine

C16H22N2 — CID 43768140

IUPAC1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(1-pyridin-3-ylethyl)ethanamine
SMILESCC(NC(C)C1CC2C=CC1C2)c1cccnc1
InChIInChI=1S/C16H22N2/c1-11(15-4-3-7-17-10-15)18-12(2)16-9-13-5-6-14(16)8-13/h3-7,10-14,16,18H,8-9H2,1-2H3
InChIKeyRVEZWZPWZXETGZ-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.33
Rot. Bonds4

About 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(1-pyridin-3-ylethyl)ethanamine

1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(1-pyridin-3-ylethyl)ethanamine (PubChem CID 43768140) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(1-pyridin-3-ylethyl)ethanamine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(1-pyridin-3-ylethyl)ethanamine
PubChem CID43768140
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(1-pyridin-3-ylethyl)ethanamine
SMILESCC(NC(C)C1CC2C=CC1C2)c1cccnc1
InChIInChI=1S/C16H22N2/c1-11(15-4-3-7-17-10-15)18-12(2)16-9-13-5-6-14(16)8-13/h3-7,10-14,16,18H,8-9H2,1-2H3
InChIKeyRVEZWZPWZXETGZ-UHFFFAOYSA-N
XLogP3.33
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.33
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

1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(1R)-1-(3-methylphenyl)ethyl]ethanamine
CID 81364480
(1R)-1-cyclopropyl-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 28655253
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]ethanamine
CID 81353460
(1S)-1-phenyl-N-[(1S)-1-pyridin-3-ylethyl]ethanamine
CID 11413502
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine
CID 43792498
1-(4-fluorophenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 81406480
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]ethanamine
CID 43786850
N-[(1S)-1-pyridin-3-ylethyl]cyclopropanamine
CID 26385082
(1R)-N-methyl-1-pyridin-3-ylethanamine
CID 26248773
N-[1-(1-methylcyclopropyl)ethyl]-1-pyridin-3-ylethanamine
CID 43363226
N-[(1S)-1-pyridin-3-ylethyl]azetidin-3-amine
CID 81406806
1-(1-propylpiperidin-4-yl)-N-(1-pyridin-3-ylethyl)ethanamine
CID 43308271

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(1-pyridin-3-ylethyl)ethanamine?
The IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(1-pyridin-3-ylethyl)ethanamine (CID 43768140) is 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(1-pyridin-3-ylethyl)ethanamine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(1-pyridin-3-ylethyl)ethanamine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(1-pyridin-3-ylethyl)ethanamine is CC(NC(C)C1CC2C=CC1C2)c1cccnc1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(1-pyridin-3-ylethyl)ethanamine?
The InChIKey is RVEZWZPWZXETGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-11(15-4-3-7-17-10-15)18-12(2)16-9-13-5-6-14(16)8-13/h3-7,10-14,16,18H,8-9H2,1-2H3.
What are the key properties of 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(1-pyridin-3-ylethyl)ethanamine?
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(1-pyridin-3-ylethyl)ethanamine has a molecular weight of 242.37 g/mol, XLogP of 3.33, 4 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-(1-pyridin-3-ylethyl)ethanamine is sourced from PubChem (CID 43768140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).