N-(2-bicyclo[2.2.1]hept-5-enylmethyl)quinolin-5-amine

C17H18N2 — CID 43759306

IUPACN-(2-bicyclo[2.2.1]hept-5-enylmethyl)quinolin-5-amine
SMILESC1=CC2CC1CC2CNc1cccc2ncccc12
InChIInChI=1S/C17H18N2/c1-4-16-15(3-2-8-18-16)17(5-1)19-11-14-10-12-6-7-13(14)9-12/h1-8,12-14,19H,9-11H2
InChIKeyZSNXJXHKWXKILI-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.86
Rot. Bonds3

About N-(2-bicyclo[2.2.1]hept-5-enylmethyl)quinolin-5-amine

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)quinolin-5-amine (PubChem CID 43759306) has the molecular formula C17H18N2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)quinolin-5-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)quinolin-5-amine
PubChem CID43759306
Molecular FormulaC17H18N2
Molecular Weight250.34 g/mol
Exact Mass250.15
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)quinolin-5-amine
SMILESC1=CC2CC1CC2CNc1cccc2ncccc12
InChIInChI=1S/C17H18N2/c1-4-16-15(3-2-8-18-16)17(5-1)19-11-14-10-12-6-7-13(14)9-12/h1-8,12-14,19H,9-11H2
InChIKeyZSNXJXHKWXKILI-UHFFFAOYSA-N
XLogP3.86
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.86
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)quinolin-5-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)quinolin-5-amine (CID 43759306) is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)quinolin-5-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)quinolin-5-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)quinolin-5-amine is C1=CC2CC1CC2CNc1cccc2ncccc12.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)quinolin-5-amine?
The InChIKey is ZSNXJXHKWXKILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2/c1-4-16-15(3-2-8-18-16)17(5-1)19-11-14-10-12-6-7-13(14)9-12/h1-8,12-14,19H,9-11H2.
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)quinolin-5-amine?
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)quinolin-5-amine has a molecular weight of 250.34 g/mol, XLogP of 3.86, 3 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)quinolin-5-amine is sourced from PubChem (CID 43759306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).