N,2-dimethylbut-3-yn-2-amine

C6H11N — CID 12632928

IUPACN,2-dimethylbut-3-yn-2-amine
SMILESC#CC(C)(C)NC
InChIInChI=1S/C6H11N/c1-5-6(2,3)7-4/h1,7H,2-4H3
InChIKeyZMUVNMBTDREBRP-UHFFFAOYSA-N
MW97.16 g/mol
LogP0.62
Rot. Bonds1

About N,2-dimethylbut-3-yn-2-amine

N,2-dimethylbut-3-yn-2-amine (PubChem CID 12632928) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is N,2-dimethylbut-3-yn-2-amine.

Molecular Properties

Compound NameN,2-dimethylbut-3-yn-2-amine
PubChem CID12632928
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC NameN,2-dimethylbut-3-yn-2-amine
SMILESC#CC(C)(C)NC
InChIInChI=1S/C6H11N/c1-5-6(2,3)7-4/h1,7H,2-4H3
InChIKeyZMUVNMBTDREBRP-UHFFFAOYSA-N
XLogP0.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.16
LogP ≤ 50.62
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 N,2-dimethylbut-3-yn-2-amine?
The IUPAC name of N,2-dimethylbut-3-yn-2-amine (CID 12632928) is N,2-dimethylbut-3-yn-2-amine.
What is the SMILES notation for N,2-dimethylbut-3-yn-2-amine?
The canonical SMILES for N,2-dimethylbut-3-yn-2-amine is C#CC(C)(C)NC.
What is the InChIKey of N,2-dimethylbut-3-yn-2-amine?
The InChIKey is ZMUVNMBTDREBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N/c1-5-6(2,3)7-4/h1,7H,2-4H3.
What are the key properties of N,2-dimethylbut-3-yn-2-amine?
N,2-dimethylbut-3-yn-2-amine has a molecular weight of 97.16 g/mol, XLogP of 0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethylbut-3-yn-2-amine is sourced from PubChem (CID 12632928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).