N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-pyridin-4-ylpropan-1-amine

C16H22N2 — CID 75425289

IUPACN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-pyridin-4-ylpropan-1-amine
SMILESCC(CNCC1CC2C=CC1C2)c1ccncc1
InChIInChI=1S/C16H22N2/c1-12(14-4-6-17-7-5-14)10-18-11-16-9-13-2-3-15(16)8-13/h2-7,12-13,15-16,18H,8-11H2,1H3
InChIKeyYHVCTOFQMNKGNZ-UHFFFAOYSA-N
MW242.37 g/mol
LogP2.99
Rot. Bonds5

About N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-pyridin-4-ylpropan-1-amine

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-pyridin-4-ylpropan-1-amine (PubChem CID 75425289) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-pyridin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-pyridin-4-ylpropan-1-amine
PubChem CID75425289
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-pyridin-4-ylpropan-1-amine
SMILESCC(CNCC1CC2C=CC1C2)c1ccncc1
InChIInChI=1S/C16H22N2/c1-12(14-4-6-17-7-5-14)10-18-11-16-9-13-2-3-15(16)8-13/h2-7,12-13,15-16,18H,8-11H2,1H3
InChIKeyYHVCTOFQMNKGNZ-UHFFFAOYSA-N
XLogP2.99
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
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 N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-pyridin-4-ylpropan-1-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-pyridin-4-ylpropan-1-amine (CID 75425289) is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-pyridin-4-ylpropan-1-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-pyridin-4-ylpropan-1-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-pyridin-4-ylpropan-1-amine is CC(CNCC1CC2C=CC1C2)c1ccncc1.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-pyridin-4-ylpropan-1-amine?
The InChIKey is YHVCTOFQMNKGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-12(14-4-6-17-7-5-14)10-18-11-16-9-13-2-3-15(16)8-13/h2-7,12-13,15-16,18H,8-11H2,1H3.
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-pyridin-4-ylpropan-1-amine?
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-pyridin-4-ylpropan-1-amine has a molecular weight of 242.37 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-pyridin-4-ylpropan-1-amine is sourced from PubChem (CID 75425289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).