2-amino-N-(3-ethylpent-1-yn-3-yl)acetamide

C9H16N2O — CID 143903158

IUPAC2-amino-N-(3-ethylpent-1-yn-3-yl)acetamide
SMILESC#CC(CC)(CC)NC(=O)CN
InChIInChI=1S/C9H16N2O/c1-4-9(5-2,6-3)11-8(12)7-10/h1H,5-7,10H2,2-3H3,(H,11,12)
InChIKeyLPWAOKPRCZCQSR-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.25
Rot. Bonds4

About 2-amino-N-(3-ethylpent-1-yn-3-yl)acetamide

2-amino-N-(3-ethylpent-1-yn-3-yl)acetamide (PubChem CID 143903158) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-amino-N-(3-ethylpent-1-yn-3-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-(3-ethylpent-1-yn-3-yl)acetamide
PubChem CID143903158
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name2-amino-N-(3-ethylpent-1-yn-3-yl)acetamide
SMILESC#CC(CC)(CC)NC(=O)CN
InChIInChI=1S/C9H16N2O/c1-4-9(5-2,6-3)11-8(12)7-10/h1H,5-7,10H2,2-3H3,(H,11,12)
InChIKeyLPWAOKPRCZCQSR-UHFFFAOYSA-N
XLogP0.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-amino-N-(3-ethylpent-1-yn-3-yl)acetamide?
The IUPAC name of 2-amino-N-(3-ethylpent-1-yn-3-yl)acetamide (CID 143903158) is 2-amino-N-(3-ethylpent-1-yn-3-yl)acetamide.
What is the SMILES notation for 2-amino-N-(3-ethylpent-1-yn-3-yl)acetamide?
The canonical SMILES for 2-amino-N-(3-ethylpent-1-yn-3-yl)acetamide is C#CC(CC)(CC)NC(=O)CN.
What is the InChIKey of 2-amino-N-(3-ethylpent-1-yn-3-yl)acetamide?
The InChIKey is LPWAOKPRCZCQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-4-9(5-2,6-3)11-8(12)7-10/h1H,5-7,10H2,2-3H3,(H,11,12).
What are the key properties of 2-amino-N-(3-ethylpent-1-yn-3-yl)acetamide?
2-amino-N-(3-ethylpent-1-yn-3-yl)acetamide has a molecular weight of 168.24 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-ethylpent-1-yn-3-yl)acetamide is sourced from PubChem (CID 143903158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).