3-methyl-2-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,5-diamine

C13H22N4 — CID 55080788

IUPAC3-methyl-2-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,5-diamine
SMILESCc1cc(N)cnc1NCC1CCCN(C)C1
InChIInChI=1S/C13H22N4/c1-10-6-12(14)8-16-13(10)15-7-11-4-3-5-17(2)9-11/h6,8,11H,3-5,7,9,14H2,1-2H3,(H,15,16)
InChIKeyVDCHCBWSUQFIAU-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.73
Rot. Bonds3

About 3-methyl-2-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,5-diamine

3-methyl-2-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,5-diamine (PubChem CID 55080788) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 3-methyl-2-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,5-diamine.

Molecular Properties

Compound Name3-methyl-2-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,5-diamine
PubChem CID55080788
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name3-methyl-2-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,5-diamine
SMILESCc1cc(N)cnc1NCC1CCCN(C)C1
InChIInChI=1S/C13H22N4/c1-10-6-12(14)8-16-13(10)15-7-11-4-3-5-17(2)9-11/h6,8,11H,3-5,7,9,14H2,1-2H3,(H,15,16)
InChIKeyVDCHCBWSUQFIAU-UHFFFAOYSA-N
XLogP1.73
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-3-methyl-N-[(1-methylpiperidin-3-yl)methyl]pyridin-2-amine
CID 79718992
5-methyl-2-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,3-diamine
CID 66279532
3-methyl-2-N-[(4-methylcyclohexyl)methyl]pyridine-2,5-diamine
CID 55176213
3-methyl-2-N-(oxan-4-ylmethyl)pyridine-2,5-diamine
CID 63726632
6-methyl-2-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,3-diamine
CID 81132211
3-methyl-2-N-(oxolan-2-ylmethyl)pyridine-2,5-diamine
CID 62476856
3-methyl-2-N-[(2-methylcyclopentyl)methyl]pyridine-2,5-diamine
CID 107416546
3,5-dichloro-6-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,6-diamine
CID 102757522
6-chloro-4-methyl-N-[(1-methylpiperidin-3-yl)methyl]pyridin-3-amine
CID 114256226
2,5-dichloro-N-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine
CID 79632916
5-chloro-N-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine
CID 105369328
5-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-2,4-diamine
CID 83265906

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,5-diamine?
The IUPAC name of 3-methyl-2-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,5-diamine (CID 55080788) is 3-methyl-2-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,5-diamine.
What is the SMILES notation for 3-methyl-2-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,5-diamine?
The canonical SMILES for 3-methyl-2-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,5-diamine is Cc1cc(N)cnc1NCC1CCCN(C)C1.
What is the InChIKey of 3-methyl-2-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,5-diamine?
The InChIKey is VDCHCBWSUQFIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-10-6-12(14)8-16-13(10)15-7-11-4-3-5-17(2)9-11/h6,8,11H,3-5,7,9,14H2,1-2H3,(H,15,16).
What are the key properties of 3-methyl-2-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,5-diamine?
3-methyl-2-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,5-diamine has a molecular weight of 234.35 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,5-diamine is sourced from PubChem (CID 55080788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).