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

C13H22N4 — CID 81132211

IUPAC6-methyl-2-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,3-diamine
SMILESCc1ccc(N)c(NCC2CCCN(C)C2)n1
InChIInChI=1S/C13H22N4/c1-10-5-6-12(14)13(16-10)15-8-11-4-3-7-17(2)9-11/h5-6,11H,3-4,7-9,14H2,1-2H3,(H,15,16)
InChIKeyDBMLLUIDQRHRLT-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.73
Rot. Bonds3

About 6-methyl-2-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,3-diamine

6-methyl-2-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,3-diamine (PubChem CID 81132211) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 6-methyl-2-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name6-methyl-2-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,3-diamine
PubChem CID81132211
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name6-methyl-2-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,3-diamine
SMILESCc1ccc(N)c(NCC2CCCN(C)C2)n1
InChIInChI=1S/C13H22N4/c1-10-5-6-12(14)13(16-10)15-8-11-4-3-7-17(2)9-11/h5-6,11H,3-4,7-9,14H2,1-2H3,(H,15,16)
InChIKeyDBMLLUIDQRHRLT-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

6-methoxy-2-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,3-diamine
CID 113286507
2-N-(cyclohexylmethyl)-6-methylpyridine-2,3-diamine
CID 81132071
5-methyl-2-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,3-diamine
CID 66279532
3-methyl-2-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,5-diamine
CID 55080788
3,5-dichloro-6-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,6-diamine
CID 102757522
3-methyl-5-N-[(1-methylpiperidin-3-yl)methyl]isoquinoline-5,8-diamine
CID 102713266
6-methyl-2-N-[(2-methylcyclopentyl)methyl]pyridine-2,3-diamine
CID 107416531
2-chloro-N-[(1-methylpiperidin-3-yl)methyl]quinazolin-4-amine
CID 62475651
6-chloro-2-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2,3-diamine
CID 113316874
2-N-[(1-methylpiperidin-3-yl)methyl]-1,3-benzoxazole-2,4-diamine
CID 79892559
6-methyl-2-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-2,3-diamine
CID 81131482
6-methyl-2-N-(2-piperidin-1-ylethyl)pyridine-2,3-diamine
CID 81132438

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,3-diamine?
The IUPAC name of 6-methyl-2-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,3-diamine (CID 81132211) is 6-methyl-2-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,3-diamine.
What is the SMILES notation for 6-methyl-2-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,3-diamine?
The canonical SMILES for 6-methyl-2-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,3-diamine is Cc1ccc(N)c(NCC2CCCN(C)C2)n1.
What is the InChIKey of 6-methyl-2-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,3-diamine?
The InChIKey is DBMLLUIDQRHRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-10-5-6-12(14)13(16-10)15-8-11-4-3-7-17(2)9-11/h5-6,11H,3-4,7-9,14H2,1-2H3,(H,15,16).
What are the key properties of 6-methyl-2-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,3-diamine?
6-methyl-2-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,3-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 6-methyl-2-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,3-diamine is sourced from PubChem (CID 81132211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).