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

C14H18N2 — CID 115692610

IUPACN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-5-methylpyridin-2-amine
SMILESCc1ccc(NCC2CC3C=CC2C3)nc1
InChIInChI=1S/C14H18N2/c1-10-2-5-14(15-8-10)16-9-13-7-11-3-4-12(13)6-11/h2-5,8,11-13H,6-7,9H2,1H3,(H,15,16)
InChIKeyXVVNVHXKSBHLOD-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.01
Rot. Bonds3

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

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-5-methylpyridin-2-amine (PubChem CID 115692610) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-5-methylpyridin-2-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-5-methylpyridin-2-amine
PubChem CID115692610
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-5-methylpyridin-2-amine
SMILESCc1ccc(NCC2CC3C=CC2C3)nc1
InChIInChI=1S/C14H18N2/c1-10-2-5-14(15-8-10)16-9-13-7-11-3-4-12(13)6-11/h2-5,8,11-13H,6-7,9H2,1H3,(H,15,16)
InChIKeyXVVNVHXKSBHLOD-UHFFFAOYSA-N
XLogP3.01
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.01
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)-5-methylpyridin-2-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-5-methylpyridin-2-amine (CID 115692610) is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-5-methylpyridin-2-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-5-methylpyridin-2-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-5-methylpyridin-2-amine is Cc1ccc(NCC2CC3C=CC2C3)nc1.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-5-methylpyridin-2-amine?
The InChIKey is XVVNVHXKSBHLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-10-2-5-14(15-8-10)16-9-13-7-11-3-4-12(13)6-11/h2-5,8,11-13H,6-7,9H2,1H3,(H,15,16).
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-5-methylpyridin-2-amine?
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-5-methylpyridin-2-amine has a molecular weight of 214.31 g/mol, XLogP of 3.01, 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)-5-methylpyridin-2-amine is sourced from PubChem (CID 115692610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).