4-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-4-N-methylpyridine-3,4-diamine

C14H20BrN3 — CID 103518149

IUPAC4-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-4-N-methylpyridine-3,4-diamine
SMILESCN(CC1CC2CCC1C2)c1c(N)cncc1Br
InChIInChI=1S/C14H20BrN3/c1-18(14-12(15)6-17-7-13(14)16)8-11-5-9-2-3-10(11)4-9/h6-7,9-11H,2-5,8,16H2,1H3
InChIKeyAQPBYYCAZMFFCH-UHFFFAOYSA-N
MW310.24 g/mol
LogP3.30
Rot. Bonds3

About 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-4-N-methylpyridine-3,4-diamine

4-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-4-N-methylpyridine-3,4-diamine (PubChem CID 103518149) has the molecular formula C14H20BrN3 and a molecular weight of 310.24 g/mol. Its IUPAC name is 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-4-N-methylpyridine-3,4-diamine.

Molecular Properties

Compound Name4-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-4-N-methylpyridine-3,4-diamine
PubChem CID103518149
Molecular FormulaC14H20BrN3
Molecular Weight310.24 g/mol
Exact Mass309.08
IUPAC Name4-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-4-N-methylpyridine-3,4-diamine
SMILESCN(CC1CC2CCC1C2)c1c(N)cncc1Br
InChIInChI=1S/C14H20BrN3/c1-18(14-12(15)6-17-7-13(14)16)8-11-5-9-2-3-10(11)4-9/h6-7,9-11H,2-5,8,16H2,1H3
InChIKeyAQPBYYCAZMFFCH-UHFFFAOYSA-N
XLogP3.30
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-4-N-methylpyridine-3,4-diamine?
The IUPAC name of 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-4-N-methylpyridine-3,4-diamine (CID 103518149) is 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-4-N-methylpyridine-3,4-diamine.
What is the SMILES notation for 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-4-N-methylpyridine-3,4-diamine?
The canonical SMILES for 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-4-N-methylpyridine-3,4-diamine is CN(CC1CC2CCC1C2)c1c(N)cncc1Br.
What is the InChIKey of 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-4-N-methylpyridine-3,4-diamine?
The InChIKey is AQPBYYCAZMFFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3/c1-18(14-12(15)6-17-7-13(14)16)8-11-5-9-2-3-10(11)4-9/h6-7,9-11H,2-5,8,16H2,1H3.
What are the key properties of 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-4-N-methylpyridine-3,4-diamine?
4-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-4-N-methylpyridine-3,4-diamine has a molecular weight of 310.24 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-4-N-methylpyridine-3,4-diamine is sourced from PubChem (CID 103518149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).