N-(2-bicyclo[2.2.1]heptanylmethyl)-3-chloro-5-(chloromethyl)-N-methylpyridin-2-amine

C15H20Cl2N2 — CID 63681809

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-3-chloro-5-(chloromethyl)-N-methylpyridin-2-amine
SMILESCN(CC1CC2CCC1C2)c1ncc(CCl)cc1Cl
InChIInChI=1S/C15H20Cl2N2/c1-19(9-13-5-10-2-3-12(13)4-10)15-14(17)6-11(7-16)8-18-15/h6,8,10,12-13H,2-5,7,9H2,1H3
InChIKeyJCFNAXTVXFMOCT-UHFFFAOYSA-N
MW299.25 g/mol
LogP4.35
Rot. Bonds4

About N-(2-bicyclo[2.2.1]heptanylmethyl)-3-chloro-5-(chloromethyl)-N-methylpyridin-2-amine

N-(2-bicyclo[2.2.1]heptanylmethyl)-3-chloro-5-(chloromethyl)-N-methylpyridin-2-amine (PubChem CID 63681809) has the molecular formula C15H20Cl2N2 and a molecular weight of 299.25 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-3-chloro-5-(chloromethyl)-N-methylpyridin-2-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-3-chloro-5-(chloromethyl)-N-methylpyridin-2-amine
PubChem CID63681809
Molecular FormulaC15H20Cl2N2
Molecular Weight299.25 g/mol
Exact Mass298.10
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-3-chloro-5-(chloromethyl)-N-methylpyridin-2-amine
SMILESCN(CC1CC2CCC1C2)c1ncc(CCl)cc1Cl
InChIInChI=1S/C15H20Cl2N2/c1-19(9-13-5-10-2-3-12(13)4-10)15-14(17)6-11(7-16)8-18-15/h6,8,10,12-13H,2-5,7,9H2,1H3
InChIKeyJCFNAXTVXFMOCT-UHFFFAOYSA-N
XLogP4.35
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bicyclo[2.2.1]heptanylmethyl)-3-chloro-5-(ethylaminomethyl)-N-methylpyridin-2-amine
CID 63683088
3-chloro-5-(chloromethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine
CID 63236339
N-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloro-N-methylpyrimidin-4-amine
CID 63686843
3-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-N-methylpyridin-2-amine
CID 63683256
3-chloro-5-(chloromethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine
CID 79319665
2-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-bromo-2-N,4-dimethylpyridine-2,5-diamine
CID 104506859
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-iodo-N-methylpyrimidin-2-amine
CID 116648985
N-(2-bicyclo[2.2.1]heptanylmethyl)-3-(chloromethyl)-N-methylpyridin-4-amine
CID 81233921
6-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-N-methylpyridine-3-sulfonamide
CID 64601519
5-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-N,5-N-dimethylpyridine-3,5-diamine
CID 104534658
[5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]pyrazin-2-yl]methanol
CID 107372861
3-chloro-5-(chloromethyl)-N-cyclopropyl-N-(3-methylbutyl)pyridin-2-amine
CID 78943846

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-3-chloro-5-(chloromethyl)-N-methylpyridin-2-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-3-chloro-5-(chloromethyl)-N-methylpyridin-2-amine (CID 63681809) is N-(2-bicyclo[2.2.1]heptanylmethyl)-3-chloro-5-(chloromethyl)-N-methylpyridin-2-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-3-chloro-5-(chloromethyl)-N-methylpyridin-2-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-3-chloro-5-(chloromethyl)-N-methylpyridin-2-amine is CN(CC1CC2CCC1C2)c1ncc(CCl)cc1Cl.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-3-chloro-5-(chloromethyl)-N-methylpyridin-2-amine?
The InChIKey is JCFNAXTVXFMOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2/c1-19(9-13-5-10-2-3-12(13)4-10)15-14(17)6-11(7-16)8-18-15/h6,8,10,12-13H,2-5,7,9H2,1H3.
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-3-chloro-5-(chloromethyl)-N-methylpyridin-2-amine?
N-(2-bicyclo[2.2.1]heptanylmethyl)-3-chloro-5-(chloromethyl)-N-methylpyridin-2-amine has a molecular weight of 299.25 g/mol, XLogP of 4.35, 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-chloro-5-(chloromethyl)-N-methylpyridin-2-amine is sourced from PubChem (CID 63681809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).