2-N-butyl-2-N-methyl-1,2-dihydropyridine-2,5-diamine

C10H19N3 — CID 86340520

IUPAC2-N-butyl-2-N-methyl-1,2-dihydropyridine-2,5-diamine
SMILESCCCCN(C)C1C=CC(N)=CN1
InChIInChI=1S/C10H19N3/c1-3-4-7-13(2)10-6-5-9(11)8-12-10/h5-6,8,10,12H,3-4,7,11H2,1-2H3
InChIKeyHDYXTLUJEYGACU-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.00
Rot. Bonds4

About 2-N-butyl-2-N-methyl-1,2-dihydropyridine-2,5-diamine

2-N-butyl-2-N-methyl-1,2-dihydropyridine-2,5-diamine (PubChem CID 86340520) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-N-butyl-2-N-methyl-1,2-dihydropyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-butyl-2-N-methyl-1,2-dihydropyridine-2,5-diamine
PubChem CID86340520
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name2-N-butyl-2-N-methyl-1,2-dihydropyridine-2,5-diamine
SMILESCCCCN(C)C1C=CC(N)=CN1
InChIInChI=1S/C10H19N3/c1-3-4-7-13(2)10-6-5-9(11)8-12-10/h5-6,8,10,12H,3-4,7,11H2,1-2H3
InChIKeyHDYXTLUJEYGACU-UHFFFAOYSA-N
XLogP1.00
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-2-N-methyl-1,2-dihydropyridine-2,5-diamine?
The IUPAC name of 2-N-butyl-2-N-methyl-1,2-dihydropyridine-2,5-diamine (CID 86340520) is 2-N-butyl-2-N-methyl-1,2-dihydropyridine-2,5-diamine.
What is the SMILES notation for 2-N-butyl-2-N-methyl-1,2-dihydropyridine-2,5-diamine?
The canonical SMILES for 2-N-butyl-2-N-methyl-1,2-dihydropyridine-2,5-diamine is CCCCN(C)C1C=CC(N)=CN1.
What is the InChIKey of 2-N-butyl-2-N-methyl-1,2-dihydropyridine-2,5-diamine?
The InChIKey is HDYXTLUJEYGACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-3-4-7-13(2)10-6-5-9(11)8-12-10/h5-6,8,10,12H,3-4,7,11H2,1-2H3.
What are the key properties of 2-N-butyl-2-N-methyl-1,2-dihydropyridine-2,5-diamine?
2-N-butyl-2-N-methyl-1,2-dihydropyridine-2,5-diamine has a molecular weight of 181.28 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butyl-2-N-methyl-1,2-dihydropyridine-2,5-diamine is sourced from PubChem (CID 86340520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).