N-ethylpent-4-yn-2-amine

C7H13N — CID 62233889

IUPACN-ethylpent-4-yn-2-amine
SMILESC#CCC(C)NCC
InChIInChI=1S/C7H13N/c1-4-6-7(3)8-5-2/h1,7-8H,5-6H2,2-3H3
InChIKeyTZUYHASGLFKWGQ-UHFFFAOYSA-N
MW111.19 g/mol
LogP1.01
Rot. Bonds3

About N-ethylpent-4-yn-2-amine

N-ethylpent-4-yn-2-amine (PubChem CID 62233889) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is N-ethylpent-4-yn-2-amine.

Molecular Properties

Compound NameN-ethylpent-4-yn-2-amine
PubChem CID62233889
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC NameN-ethylpent-4-yn-2-amine
SMILESC#CCC(C)NCC
InChIInChI=1S/C7H13N/c1-4-6-7(3)8-5-2/h1,7-8H,5-6H2,2-3H3
InChIKeyTZUYHASGLFKWGQ-UHFFFAOYSA-N
XLogP1.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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-ethylpent-4-yn-2-amine?
The IUPAC name of N-ethylpent-4-yn-2-amine (CID 62233889) is N-ethylpent-4-yn-2-amine.
What is the SMILES notation for N-ethylpent-4-yn-2-amine?
The canonical SMILES for N-ethylpent-4-yn-2-amine is C#CCC(C)NCC.
What is the InChIKey of N-ethylpent-4-yn-2-amine?
The InChIKey is TZUYHASGLFKWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-4-6-7(3)8-5-2/h1,7-8H,5-6H2,2-3H3.
What are the key properties of N-ethylpent-4-yn-2-amine?
N-ethylpent-4-yn-2-amine has a molecular weight of 111.19 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylpent-4-yn-2-amine is sourced from PubChem (CID 62233889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).