5-methyl-4-N-[(1S,2R)-2-methylcyclohexyl]pyridine-2,3,4-triamine

C13H22N4 — CID 67278428

IUPAC5-methyl-4-N-[(1S,2R)-2-methylcyclohexyl]pyridine-2,3,4-triamine
SMILESCc1cnc(N)c(N)c1N[C@H]1CCCC[C@H]1C
InChIInChI=1S/C13H22N4/c1-8-5-3-4-6-10(8)17-12-9(2)7-16-13(15)11(12)14/h7-8,10H,3-6,14H2,1-2H3,(H3,15,16,17)/t8-,10+/m1/s1
InChIKeyRSEXAGOPASKVNI-SCZZXKLOSA-N
MW234.35 g/mol
LogP2.55
Rot. Bonds2

About 5-methyl-4-N-[(1S,2R)-2-methylcyclohexyl]pyridine-2,3,4-triamine

5-methyl-4-N-[(1S,2R)-2-methylcyclohexyl]pyridine-2,3,4-triamine (PubChem CID 67278428) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 5-methyl-4-N-[(1S,2R)-2-methylcyclohexyl]pyridine-2,3,4-triamine.

Molecular Properties

Compound Name5-methyl-4-N-[(1S,2R)-2-methylcyclohexyl]pyridine-2,3,4-triamine
PubChem CID67278428
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name5-methyl-4-N-[(1S,2R)-2-methylcyclohexyl]pyridine-2,3,4-triamine
SMILESCc1cnc(N)c(N)c1N[C@H]1CCCC[C@H]1C
InChIInChI=1S/C13H22N4/c1-8-5-3-4-6-10(8)17-12-9(2)7-16-13(15)11(12)14/h7-8,10H,3-6,14H2,1-2H3,(H3,15,16,17)/t8-,10+/m1/s1
InChIKeyRSEXAGOPASKVNI-SCZZXKLOSA-N
XLogP2.55
TPSA76.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-N-[(1S,2R)-2-methylcyclohexyl]pyridine-2,3,4-triamine?
The IUPAC name of 5-methyl-4-N-[(1S,2R)-2-methylcyclohexyl]pyridine-2,3,4-triamine (CID 67278428) is 5-methyl-4-N-[(1S,2R)-2-methylcyclohexyl]pyridine-2,3,4-triamine.
What is the SMILES notation for 5-methyl-4-N-[(1S,2R)-2-methylcyclohexyl]pyridine-2,3,4-triamine?
The canonical SMILES for 5-methyl-4-N-[(1S,2R)-2-methylcyclohexyl]pyridine-2,3,4-triamine is Cc1cnc(N)c(N)c1N[C@H]1CCCC[C@H]1C.
What is the InChIKey of 5-methyl-4-N-[(1S,2R)-2-methylcyclohexyl]pyridine-2,3,4-triamine?
The InChIKey is RSEXAGOPASKVNI-SCZZXKLOSA-N. The full InChI is InChI=1S/C13H22N4/c1-8-5-3-4-6-10(8)17-12-9(2)7-16-13(15)11(12)14/h7-8,10H,3-6,14H2,1-2H3,(H3,15,16,17)/t8-,10+/m1/s1.
What are the key properties of 5-methyl-4-N-[(1S,2R)-2-methylcyclohexyl]pyridine-2,3,4-triamine?
5-methyl-4-N-[(1S,2R)-2-methylcyclohexyl]pyridine-2,3,4-triamine has a molecular weight of 234.35 g/mol, XLogP of 2.55, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-N-[(1S,2R)-2-methylcyclohexyl]pyridine-2,3,4-triamine is sourced from PubChem (CID 67278428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).