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

C14H21N3 — CID 83265353

IUPAC2-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-methylpyridine-2,4-diamine
SMILESCc1cnc(NCC2CC3CCC2C3)cc1N
InChIInChI=1S/C14H21N3/c1-9-7-16-14(6-13(9)15)17-8-12-5-10-2-3-11(12)4-10/h6-7,10-12H,2-5,8H2,1H3,(H3,15,16,17)
InChIKeyAUNKHHZCMVTKJF-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.82
Rot. Bonds3

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

2-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-methylpyridine-2,4-diamine (PubChem CID 83265353) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-methylpyridine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-methylpyridine-2,4-diamine
PubChem CID83265353
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name2-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-methylpyridine-2,4-diamine
SMILESCc1cnc(NCC2CC3CCC2C3)cc1N
InChIInChI=1S/C14H21N3/c1-9-7-16-14(6-13(9)15)17-8-12-5-10-2-3-11(12)4-10/h6-7,10-12H,2-5,8H2,1H3,(H3,15,16,17)
InChIKeyAUNKHHZCMVTKJF-UHFFFAOYSA-N
XLogP2.82
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylpyridine-2,5-diamine
CID 63689946
4-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-N-ethylpyrimidine-4,6-diamine
CID 80833910
5-methyl-2-N-(oxolan-3-ylmethyl)pyridine-2,4-diamine
CID 83265537
4-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80834407
5-methyl-2-N-(oxan-4-ylmethyl)pyridine-2,4-diamine
CID 83265643
5-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-2,4-diamine
CID 83265906
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylbenzene-1,2-diamine
CID 63689970
4-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 80910192
4-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80834865
2-N-[(1-ethylpiperidin-4-yl)methyl]-5-methylpyridine-2,4-diamine
CID 83265626
N-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloropyridazin-4-amine
CID 114478130
4-methyl-2-N-[(2-methylcyclopentyl)methyl]pyridine-2,5-diamine
CID 107416554

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-methylpyridine-2,4-diamine?
The IUPAC name of 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-methylpyridine-2,4-diamine (CID 83265353) is 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-methylpyridine-2,4-diamine.
What is the SMILES notation for 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-methylpyridine-2,4-diamine?
The canonical SMILES for 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-methylpyridine-2,4-diamine is Cc1cnc(NCC2CC3CCC2C3)cc1N.
What is the InChIKey of 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-methylpyridine-2,4-diamine?
The InChIKey is AUNKHHZCMVTKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-9-7-16-14(6-13(9)15)17-8-12-5-10-2-3-11(12)4-10/h6-7,10-12H,2-5,8H2,1H3,(H3,15,16,17).
What are the key properties of 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-methylpyridine-2,4-diamine?
2-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-methylpyridine-2,4-diamine has a molecular weight of 231.34 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-methylpyridine-2,4-diamine is sourced from PubChem (CID 83265353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).