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

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

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Related Compounds

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
5-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-N,5-N-dimethylpyridine-3,5-diamine
CID 104534658
3-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-N-methylpyridin-2-amine
CID 63683256
N-(2-bicyclo[2.2.1]heptanylmethyl)-6-bromo-N-methylpyridin-2-amine
CID 63962824
6-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-N-methylpyridine-2,6-diamine
CID 80652293
4-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80818030
5-bromo-4-N-[2-(cyclopropylmethoxy)ethyl]-4-N-methylpyridine-3,4-diamine
CID 103518332
2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N-methylpyridine-2,4-diamine
CID 63684121
2-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,6-dimethylaniline
CID 107105713
5-amino-6-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]pyridine-2-carboxylic acid
CID 114406641
N-(2-bicyclo[2.2.1]heptanylmethyl)-3-(chloromethyl)-N-methylpyridin-4-amine
CID 81233921

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).