2-methyl-N-(3-methyl-2-pyridinyl)butane-1,4-diamine

C11H19N3 — CID 66106814

IUPAC2-methyl-N-(3-methyl-2-pyridinyl)butane-1,4-diamine
SMILESCc1cccnc1NCC(C)CCN
InChIInChI=1S/C11H19N3/c1-9(5-6-12)8-14-11-10(2)4-3-7-13-11/h3-4,7,9H,5-6,8,12H2,1-2H3,(H,13,14)
InChIKeySNTJZWLNKBXLHQ-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.79
Rot. Bonds5

About 2-methyl-N-(3-methyl-2-pyridinyl)butane-1,4-diamine

2-methyl-N-(3-methyl-2-pyridinyl)butane-1,4-diamine (PubChem CID 66106814) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-methyl-N-(3-methyl-2-pyridinyl)butane-1,4-diamine.

Molecular Properties

Compound Name2-methyl-N-(3-methyl-2-pyridinyl)butane-1,4-diamine
PubChem CID66106814
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name2-methyl-N-(3-methyl-2-pyridinyl)butane-1,4-diamine
SMILESCc1cccnc1NCC(C)CCN
InChIInChI=1S/C11H19N3/c1-9(5-6-12)8-14-11-10(2)4-3-7-13-11/h3-4,7,9H,5-6,8,12H2,1-2H3,(H,13,14)
InChIKeySNTJZWLNKBXLHQ-UHFFFAOYSA-N
XLogP1.79
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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 2-methyl-N-(3-methyl-2-pyridinyl)butane-1,4-diamine?
The IUPAC name of 2-methyl-N-(3-methyl-2-pyridinyl)butane-1,4-diamine (CID 66106814) is 2-methyl-N-(3-methyl-2-pyridinyl)butane-1,4-diamine.
What is the SMILES notation for 2-methyl-N-(3-methyl-2-pyridinyl)butane-1,4-diamine?
The canonical SMILES for 2-methyl-N-(3-methyl-2-pyridinyl)butane-1,4-diamine is Cc1cccnc1NCC(C)CCN.
What is the InChIKey of 2-methyl-N-(3-methyl-2-pyridinyl)butane-1,4-diamine?
The InChIKey is SNTJZWLNKBXLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-9(5-6-12)8-14-11-10(2)4-3-7-13-11/h3-4,7,9H,5-6,8,12H2,1-2H3,(H,13,14).
What are the key properties of 2-methyl-N-(3-methyl-2-pyridinyl)butane-1,4-diamine?
2-methyl-N-(3-methyl-2-pyridinyl)butane-1,4-diamine has a molecular weight of 193.29 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-methyl-2-pyridinyl)butane-1,4-diamine is sourced from PubChem (CID 66106814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).