N-(2-bicyclo[2.2.1]heptanylmethyl)-3-(chloromethyl)-N-methylpyridin-4-amine

C15H21ClN2 — CID 81233921

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-3-(chloromethyl)-N-methylpyridin-4-amine
SMILESCN(CC1CC2CCC1C2)c1ccncc1CCl
InChIInChI=1S/C15H21ClN2/c1-18(15-4-5-17-9-14(15)8-16)10-13-7-11-2-3-12(13)6-11/h4-5,9,11-13H,2-3,6-8,10H2,1H3
InChIKeyHVPJYXOIOVAUNG-UHFFFAOYSA-N
MW264.80 g/mol
LogP3.69
Rot. Bonds4

About N-(2-bicyclo[2.2.1]heptanylmethyl)-3-(chloromethyl)-N-methylpyridin-4-amine

N-(2-bicyclo[2.2.1]heptanylmethyl)-3-(chloromethyl)-N-methylpyridin-4-amine (PubChem CID 81233921) has the molecular formula C15H21ClN2 and a molecular weight of 264.80 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-3-(chloromethyl)-N-methylpyridin-4-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-3-(chloromethyl)-N-methylpyridin-4-amine
PubChem CID81233921
Molecular FormulaC15H21ClN2
Molecular Weight264.80 g/mol
Exact Mass264.14
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-3-(chloromethyl)-N-methylpyridin-4-amine
SMILESCN(CC1CC2CCC1C2)c1ccncc1CCl
InChIInChI=1S/C15H21ClN2/c1-18(15-4-5-17-9-14(15)8-16)10-13-7-11-2-3-12(13)6-11/h4-5,9,11-13H,2-3,6-8,10H2,1H3
InChIKeyHVPJYXOIOVAUNG-UHFFFAOYSA-N
XLogP3.69
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.80
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-3-(chloromethyl)-N-methylpyridin-4-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-3-(chloromethyl)-N-methylpyridin-4-amine (CID 81233921) is N-(2-bicyclo[2.2.1]heptanylmethyl)-3-(chloromethyl)-N-methylpyridin-4-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-3-(chloromethyl)-N-methylpyridin-4-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-3-(chloromethyl)-N-methylpyridin-4-amine is CN(CC1CC2CCC1C2)c1ccncc1CCl.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-3-(chloromethyl)-N-methylpyridin-4-amine?
The InChIKey is HVPJYXOIOVAUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2/c1-18(15-4-5-17-9-14(15)8-16)10-13-7-11-2-3-12(13)6-11/h4-5,9,11-13H,2-3,6-8,10H2,1H3.
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-3-(chloromethyl)-N-methylpyridin-4-amine?
N-(2-bicyclo[2.2.1]heptanylmethyl)-3-(chloromethyl)-N-methylpyridin-4-amine has a molecular weight of 264.80 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylmethyl)-3-(chloromethyl)-N-methylpyridin-4-amine is sourced from PubChem (CID 81233921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).