4-N-(4-methylpent-1-yn-3-yl)pyridine-3,4-diamine

C11H15N3 — CID 130481643

IUPAC4-N-(4-methylpent-1-yn-3-yl)pyridine-3,4-diamine
SMILESC#CC(Nc1ccncc1N)C(C)C
InChIInChI=1S/C11H15N3/c1-4-10(8(2)3)14-11-5-6-13-7-9(11)12/h1,5-8,10H,12H2,2-3H3,(H,13,14)
InChIKeyUTLCLVSKEXNWET-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.73
Rot. Bonds3

About 4-N-(4-methylpent-1-yn-3-yl)pyridine-3,4-diamine

4-N-(4-methylpent-1-yn-3-yl)pyridine-3,4-diamine (PubChem CID 130481643) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 4-N-(4-methylpent-1-yn-3-yl)pyridine-3,4-diamine.

Molecular Properties

Compound Name4-N-(4-methylpent-1-yn-3-yl)pyridine-3,4-diamine
PubChem CID130481643
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name4-N-(4-methylpent-1-yn-3-yl)pyridine-3,4-diamine
SMILESC#CC(Nc1ccncc1N)C(C)C
InChIInChI=1S/C11H15N3/c1-4-10(8(2)3)14-11-5-6-13-7-9(11)12/h1,5-8,10H,12H2,2-3H3,(H,13,14)
InChIKeyUTLCLVSKEXNWET-UHFFFAOYSA-N
XLogP1.73
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N-(4-methylpent-1-yn-3-yl)pyridine-3,4-diamine?
The IUPAC name of 4-N-(4-methylpent-1-yn-3-yl)pyridine-3,4-diamine (CID 130481643) is 4-N-(4-methylpent-1-yn-3-yl)pyridine-3,4-diamine.
What is the SMILES notation for 4-N-(4-methylpent-1-yn-3-yl)pyridine-3,4-diamine?
The canonical SMILES for 4-N-(4-methylpent-1-yn-3-yl)pyridine-3,4-diamine is C#CC(Nc1ccncc1N)C(C)C.
What is the InChIKey of 4-N-(4-methylpent-1-yn-3-yl)pyridine-3,4-diamine?
The InChIKey is UTLCLVSKEXNWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-4-10(8(2)3)14-11-5-6-13-7-9(11)12/h1,5-8,10H,12H2,2-3H3,(H,13,14).
What are the key properties of 4-N-(4-methylpent-1-yn-3-yl)pyridine-3,4-diamine?
4-N-(4-methylpent-1-yn-3-yl)pyridine-3,4-diamine has a molecular weight of 189.26 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-methylpent-1-yn-3-yl)pyridine-3,4-diamine is sourced from PubChem (CID 130481643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).