6-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-N-methylpyridine-2,6-diamine

C14H21N3 — CID 80652293

IUPAC6-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-N-methylpyridine-2,6-diamine
SMILESCN(CC1CC2CCC1C2)c1cccc(N)n1
InChIInChI=1S/C14H21N3/c1-17(14-4-2-3-13(15)16-14)9-12-8-10-5-6-11(12)7-10/h2-4,10-12H,5-9H2,1H3,(H2,15,16)
InChIKeyMFSSUBCBIKMTEA-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.54
Rot. Bonds3

About 6-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-N-methylpyridine-2,6-diamine

6-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-N-methylpyridine-2,6-diamine (PubChem CID 80652293) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 6-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-N-methylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-N-methylpyridine-2,6-diamine
PubChem CID80652293
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name6-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-N-methylpyridine-2,6-diamine
SMILESCN(CC1CC2CCC1C2)c1cccc(N)n1
InChIInChI=1S/C14H21N3/c1-17(14-4-2-3-13(15)16-14)9-12-8-10-5-6-11(12)7-10/h2-4,10-12H,5-9H2,1H3,(H2,15,16)
InChIKeyMFSSUBCBIKMTEA-UHFFFAOYSA-N
XLogP2.54
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bicyclo[2.2.1]heptanylmethyl)-6-bromo-N-methylpyridin-2-amine
CID 63962824
2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N-methylpyridine-2,4-diamine
CID 63684121
6-N-(cyclopentylmethyl)-6-N-methylpyridine-2,6-diamine
CID 80653540
4-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565084
[5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]pyrazin-2-yl]methanol
CID 107372861
2-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylaniline
CID 63687901
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)-6-chloro-N-methylpyrimidin-4-amine
CID 63686843
4-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N,4-N,6-trimethylpyrimidine-2,4-diamine
CID 80833914
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-(ethylaminomethyl)-N-methylpyrazin-2-amine
CID 107380276
6-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]pyridine-3-carboxylic acid
CID 63682341

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-N-methylpyridine-2,6-diamine?
The IUPAC name of 6-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-N-methylpyridine-2,6-diamine (CID 80652293) is 6-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-N-methylpyridine-2,6-diamine.
What is the SMILES notation for 6-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-N-methylpyridine-2,6-diamine?
The canonical SMILES for 6-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-N-methylpyridine-2,6-diamine is CN(CC1CC2CCC1C2)c1cccc(N)n1.
What is the InChIKey of 6-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-N-methylpyridine-2,6-diamine?
The InChIKey is MFSSUBCBIKMTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-17(14-4-2-3-13(15)16-14)9-12-8-10-5-6-11(12)7-10/h2-4,10-12H,5-9H2,1H3,(H2,15,16).
What are the key properties of 6-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-N-methylpyridine-2,6-diamine?
6-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-N-methylpyridine-2,6-diamine has a molecular weight of 231.34 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-N-methylpyridine-2,6-diamine is sourced from PubChem (CID 80652293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).