N-ethyl-2-methylbut-3-yn-2-amine

C7H13N — CID 14919859

IUPACN-ethyl-2-methylbut-3-yn-2-amine
SMILESC#CC(C)(C)NCC
InChIInChI=1S/C7H13N/c1-5-7(3,4)8-6-2/h1,8H,6H2,2-4H3
InChIKeyPTAKYPIMFHIKST-UHFFFAOYSA-N
MW111.19 g/mol
LogP1.01
Rot. Bonds2

About N-ethyl-2-methylbut-3-yn-2-amine

N-ethyl-2-methylbut-3-yn-2-amine (PubChem CID 14919859) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is N-ethyl-2-methylbut-3-yn-2-amine.

Molecular Properties

Compound NameN-ethyl-2-methylbut-3-yn-2-amine
PubChem CID14919859
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC NameN-ethyl-2-methylbut-3-yn-2-amine
SMILESC#CC(C)(C)NCC
InChIInChI=1S/C7H13N/c1-5-7(3,4)8-6-2/h1,8H,6H2,2-4H3
InChIKeyPTAKYPIMFHIKST-UHFFFAOYSA-N
XLogP1.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.01
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-ethyl-2-methylbut-3-yn-2-amine?
The IUPAC name of N-ethyl-2-methylbut-3-yn-2-amine (CID 14919859) is N-ethyl-2-methylbut-3-yn-2-amine.
What is the SMILES notation for N-ethyl-2-methylbut-3-yn-2-amine?
The canonical SMILES for N-ethyl-2-methylbut-3-yn-2-amine is C#CC(C)(C)NCC.
What is the InChIKey of N-ethyl-2-methylbut-3-yn-2-amine?
The InChIKey is PTAKYPIMFHIKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-5-7(3,4)8-6-2/h1,8H,6H2,2-4H3.
What are the key properties of N-ethyl-2-methylbut-3-yn-2-amine?
N-ethyl-2-methylbut-3-yn-2-amine has a molecular weight of 111.19 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methylbut-3-yn-2-amine is sourced from PubChem (CID 14919859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).