2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]but-3-yn-2-amine

C11H17N3 — CID 63998523

IUPAC2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]but-3-yn-2-amine
SMILESC#CC(C)(C)NC(C)c1cnn(C)c1
InChIInChI=1S/C11H17N3/c1-6-11(3,4)13-9(2)10-7-12-14(5)8-10/h1,7-9,13H,2-5H3
InChIKeyKKUUFQRGGLQALE-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.48
Rot. Bonds3

About 2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]but-3-yn-2-amine

2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]but-3-yn-2-amine (PubChem CID 63998523) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]but-3-yn-2-amine.

Molecular Properties

Compound Name2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]but-3-yn-2-amine
PubChem CID63998523
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]but-3-yn-2-amine
SMILESC#CC(C)(C)NC(C)c1cnn(C)c1
InChIInChI=1S/C11H17N3/c1-6-11(3,4)13-9(2)10-7-12-14(5)8-10/h1,7-9,13H,2-5H3
InChIKeyKKUUFQRGGLQALE-UHFFFAOYSA-N
XLogP1.48
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]but-3-yn-2-amine?
The IUPAC name of 2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]but-3-yn-2-amine (CID 63998523) is 2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]but-3-yn-2-amine.
What is the SMILES notation for 2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]but-3-yn-2-amine?
The canonical SMILES for 2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]but-3-yn-2-amine is C#CC(C)(C)NC(C)c1cnn(C)c1.
What is the InChIKey of 2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]but-3-yn-2-amine?
The InChIKey is KKUUFQRGGLQALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-6-11(3,4)13-9(2)10-7-12-14(5)8-10/h1,7-9,13H,2-5H3.
What are the key properties of 2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]but-3-yn-2-amine?
2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]but-3-yn-2-amine has a molecular weight of 191.28 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]but-3-yn-2-amine is sourced from PubChem (CID 63998523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).