2-methyl-N-(2-methylpropyl)but-3-yn-2-amine

C9H17N — CID 63998692

IUPAC2-methyl-N-(2-methylpropyl)but-3-yn-2-amine
SMILESC#CC(C)(C)NCC(C)C
InChIInChI=1S/C9H17N/c1-6-9(4,5)10-7-8(2)3/h1,8,10H,7H2,2-5H3
InChIKeyYJJWZTVPRSPZCY-UHFFFAOYSA-N
MW139.24 g/mol
LogP1.64
Rot. Bonds3

About 2-methyl-N-(2-methylpropyl)but-3-yn-2-amine

2-methyl-N-(2-methylpropyl)but-3-yn-2-amine (PubChem CID 63998692) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 2-methyl-N-(2-methylpropyl)but-3-yn-2-amine.

Molecular Properties

Compound Name2-methyl-N-(2-methylpropyl)but-3-yn-2-amine
PubChem CID63998692
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name2-methyl-N-(2-methylpropyl)but-3-yn-2-amine
SMILESC#CC(C)(C)NCC(C)C
InChIInChI=1S/C9H17N/c1-6-9(4,5)10-7-8(2)3/h1,8,10H,7H2,2-5H3
InChIKeyYJJWZTVPRSPZCY-UHFFFAOYSA-N
XLogP1.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 51.64
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 2-methyl-N-(2-methylpropyl)but-3-yn-2-amine?
The IUPAC name of 2-methyl-N-(2-methylpropyl)but-3-yn-2-amine (CID 63998692) is 2-methyl-N-(2-methylpropyl)but-3-yn-2-amine.
What is the SMILES notation for 2-methyl-N-(2-methylpropyl)but-3-yn-2-amine?
The canonical SMILES for 2-methyl-N-(2-methylpropyl)but-3-yn-2-amine is C#CC(C)(C)NCC(C)C.
What is the InChIKey of 2-methyl-N-(2-methylpropyl)but-3-yn-2-amine?
The InChIKey is YJJWZTVPRSPZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-6-9(4,5)10-7-8(2)3/h1,8,10H,7H2,2-5H3.
What are the key properties of 2-methyl-N-(2-methylpropyl)but-3-yn-2-amine?
2-methyl-N-(2-methylpropyl)but-3-yn-2-amine has a molecular weight of 139.24 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylpropyl)but-3-yn-2-amine is sourced from PubChem (CID 63998692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).