N-methyl-N'-(6-methyl-2-pyridinyl)ethane-1,2-diamine

C9H15N3 — CID 11094986

IUPACN-methyl-N'-(6-methyl-2-pyridinyl)ethane-1,2-diamine
SMILESCNCCNc1cccc(C)n1
InChIInChI=1S/C9H15N3/c1-8-4-3-5-9(12-8)11-7-6-10-2/h3-5,10H,6-7H2,1-2H3,(H,11,12)
InChIKeyPEBAGPYBNBEASU-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.02
Rot. Bonds4

About N-methyl-N'-(6-methyl-2-pyridinyl)ethane-1,2-diamine

N-methyl-N'-(6-methyl-2-pyridinyl)ethane-1,2-diamine (PubChem CID 11094986) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is N-methyl-N'-(6-methyl-2-pyridinyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N'-(6-methyl-2-pyridinyl)ethane-1,2-diamine
PubChem CID11094986
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC NameN-methyl-N'-(6-methyl-2-pyridinyl)ethane-1,2-diamine
SMILESCNCCNc1cccc(C)n1
InChIInChI=1S/C9H15N3/c1-8-4-3-5-9(12-8)11-7-6-10-2/h3-5,10H,6-7H2,1-2H3,(H,11,12)
InChIKeyPEBAGPYBNBEASU-UHFFFAOYSA-N
XLogP1.02
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-(6-methyl-2-pyridinyl)ethane-1,2-diamine?
The IUPAC name of N-methyl-N'-(6-methyl-2-pyridinyl)ethane-1,2-diamine (CID 11094986) is N-methyl-N'-(6-methyl-2-pyridinyl)ethane-1,2-diamine.
What is the SMILES notation for N-methyl-N'-(6-methyl-2-pyridinyl)ethane-1,2-diamine?
The canonical SMILES for N-methyl-N'-(6-methyl-2-pyridinyl)ethane-1,2-diamine is CNCCNc1cccc(C)n1.
What is the InChIKey of N-methyl-N'-(6-methyl-2-pyridinyl)ethane-1,2-diamine?
The InChIKey is PEBAGPYBNBEASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-8-4-3-5-9(12-8)11-7-6-10-2/h3-5,10H,6-7H2,1-2H3,(H,11,12).
What are the key properties of N-methyl-N'-(6-methyl-2-pyridinyl)ethane-1,2-diamine?
N-methyl-N'-(6-methyl-2-pyridinyl)ethane-1,2-diamine has a molecular weight of 165.24 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-(6-methyl-2-pyridinyl)ethane-1,2-diamine is sourced from PubChem (CID 11094986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).