3-methyl-2-N-(6-methyl-2-pyridinyl)butane-1,2-diamine

C11H19N3 — CID 65192341

IUPAC3-methyl-2-N-(6-methyl-2-pyridinyl)butane-1,2-diamine
SMILESCc1cccc(NC(CN)C(C)C)n1
InChIInChI=1S/C11H19N3/c1-8(2)10(7-12)14-11-6-4-5-9(3)13-11/h4-6,8,10H,7,12H2,1-3H3,(H,13,14)
InChIKeyLHXMJUWNBZEXGU-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.79
Rot. Bonds4

About 3-methyl-2-N-(6-methyl-2-pyridinyl)butane-1,2-diamine

3-methyl-2-N-(6-methyl-2-pyridinyl)butane-1,2-diamine (PubChem CID 65192341) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 3-methyl-2-N-(6-methyl-2-pyridinyl)butane-1,2-diamine.

Molecular Properties

Compound Name3-methyl-2-N-(6-methyl-2-pyridinyl)butane-1,2-diamine
PubChem CID65192341
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name3-methyl-2-N-(6-methyl-2-pyridinyl)butane-1,2-diamine
SMILESCc1cccc(NC(CN)C(C)C)n1
InChIInChI=1S/C11H19N3/c1-8(2)10(7-12)14-11-6-4-5-9(3)13-11/h4-6,8,10H,7,12H2,1-3H3,(H,13,14)
InChIKeyLHXMJUWNBZEXGU-UHFFFAOYSA-N
XLogP1.79
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-N-(6-methyl-2-pyridinyl)butane-1,2-diamine?
The IUPAC name of 3-methyl-2-N-(6-methyl-2-pyridinyl)butane-1,2-diamine (CID 65192341) is 3-methyl-2-N-(6-methyl-2-pyridinyl)butane-1,2-diamine.
What is the SMILES notation for 3-methyl-2-N-(6-methyl-2-pyridinyl)butane-1,2-diamine?
The canonical SMILES for 3-methyl-2-N-(6-methyl-2-pyridinyl)butane-1,2-diamine is Cc1cccc(NC(CN)C(C)C)n1.
What is the InChIKey of 3-methyl-2-N-(6-methyl-2-pyridinyl)butane-1,2-diamine?
The InChIKey is LHXMJUWNBZEXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-8(2)10(7-12)14-11-6-4-5-9(3)13-11/h4-6,8,10H,7,12H2,1-3H3,(H,13,14).
What are the key properties of 3-methyl-2-N-(6-methyl-2-pyridinyl)butane-1,2-diamine?
3-methyl-2-N-(6-methyl-2-pyridinyl)butane-1,2-diamine has a molecular weight of 193.29 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-N-(6-methyl-2-pyridinyl)butane-1,2-diamine is sourced from PubChem (CID 65192341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).