3-methyl-N-(2-methylbut-3-yn-2-yl)pent-1-yn-3-amine

C11H17N — CID 12618962

IUPAC3-methyl-N-(2-methylbut-3-yn-2-yl)pent-1-yn-3-amine
SMILESC#CC(C)(C)NC(C)(C#C)CC
InChIInChI=1S/C11H17N/c1-7-10(4,5)12-11(6,8-2)9-3/h1-2,12H,9H2,3-6H3
InChIKeyGFUNSPIAIIKOSS-UHFFFAOYSA-N
MW163.26 g/mol
LogP1.79
Rot. Bonds3

About 3-methyl-N-(2-methylbut-3-yn-2-yl)pent-1-yn-3-amine

3-methyl-N-(2-methylbut-3-yn-2-yl)pent-1-yn-3-amine (PubChem CID 12618962) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 3-methyl-N-(2-methylbut-3-yn-2-yl)pent-1-yn-3-amine.

Molecular Properties

Compound Name3-methyl-N-(2-methylbut-3-yn-2-yl)pent-1-yn-3-amine
PubChem CID12618962
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name3-methyl-N-(2-methylbut-3-yn-2-yl)pent-1-yn-3-amine
SMILESC#CC(C)(C)NC(C)(C#C)CC
InChIInChI=1S/C11H17N/c1-7-10(4,5)12-11(6,8-2)9-3/h1-2,12H,9H2,3-6H3
InChIKeyGFUNSPIAIIKOSS-UHFFFAOYSA-N
XLogP1.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 3-methyl-N-(2-methylbut-3-yn-2-yl)pent-1-yn-3-amine?
The IUPAC name of 3-methyl-N-(2-methylbut-3-yn-2-yl)pent-1-yn-3-amine (CID 12618962) is 3-methyl-N-(2-methylbut-3-yn-2-yl)pent-1-yn-3-amine.
What is the SMILES notation for 3-methyl-N-(2-methylbut-3-yn-2-yl)pent-1-yn-3-amine?
The canonical SMILES for 3-methyl-N-(2-methylbut-3-yn-2-yl)pent-1-yn-3-amine is C#CC(C)(C)NC(C)(C#C)CC.
What is the InChIKey of 3-methyl-N-(2-methylbut-3-yn-2-yl)pent-1-yn-3-amine?
The InChIKey is GFUNSPIAIIKOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-7-10(4,5)12-11(6,8-2)9-3/h1-2,12H,9H2,3-6H3.
What are the key properties of 3-methyl-N-(2-methylbut-3-yn-2-yl)pent-1-yn-3-amine?
3-methyl-N-(2-methylbut-3-yn-2-yl)pent-1-yn-3-amine has a molecular weight of 163.26 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methylbut-3-yn-2-yl)pent-1-yn-3-amine is sourced from PubChem (CID 12618962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).