2-amino-N-(1-hydroxy-3-methylpentan-3-yl)pent-4-ynamide

C11H20N2O2 — CID 106176289

IUPAC2-amino-N-(1-hydroxy-3-methylpentan-3-yl)pent-4-ynamide
SMILESC#CCC(N)C(=O)NC(C)(CC)CCO
InChIInChI=1S/C11H20N2O2/c1-4-6-9(12)10(15)13-11(3,5-2)7-8-14/h1,9,14H,5-8,12H2,2-3H3,(H,13,15)
InChIKeyGGZGTDVYQKQAQB-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.00
Rot. Bonds6

About 2-amino-N-(1-hydroxy-3-methylpentan-3-yl)pent-4-ynamide

2-amino-N-(1-hydroxy-3-methylpentan-3-yl)pent-4-ynamide (PubChem CID 106176289) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-amino-N-(1-hydroxy-3-methylpentan-3-yl)pent-4-ynamide.

Molecular Properties

Compound Name2-amino-N-(1-hydroxy-3-methylpentan-3-yl)pent-4-ynamide
PubChem CID106176289
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-amino-N-(1-hydroxy-3-methylpentan-3-yl)pent-4-ynamide
SMILESC#CCC(N)C(=O)NC(C)(CC)CCO
InChIInChI=1S/C11H20N2O2/c1-4-6-9(12)10(15)13-11(3,5-2)7-8-14/h1,9,14H,5-8,12H2,2-3H3,(H,13,15)
InChIKeyGGZGTDVYQKQAQB-UHFFFAOYSA-N
XLogP0.00
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-(1-hydroxy-3-methylpentan-3-yl)pent-4-ynamide?
The IUPAC name of 2-amino-N-(1-hydroxy-3-methylpentan-3-yl)pent-4-ynamide (CID 106176289) is 2-amino-N-(1-hydroxy-3-methylpentan-3-yl)pent-4-ynamide.
What is the SMILES notation for 2-amino-N-(1-hydroxy-3-methylpentan-3-yl)pent-4-ynamide?
The canonical SMILES for 2-amino-N-(1-hydroxy-3-methylpentan-3-yl)pent-4-ynamide is C#CCC(N)C(=O)NC(C)(CC)CCO.
What is the InChIKey of 2-amino-N-(1-hydroxy-3-methylpentan-3-yl)pent-4-ynamide?
The InChIKey is GGZGTDVYQKQAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-4-6-9(12)10(15)13-11(3,5-2)7-8-14/h1,9,14H,5-8,12H2,2-3H3,(H,13,15).
What are the key properties of 2-amino-N-(1-hydroxy-3-methylpentan-3-yl)pent-4-ynamide?
2-amino-N-(1-hydroxy-3-methylpentan-3-yl)pent-4-ynamide has a molecular weight of 212.29 g/mol, XLogP of 0.00, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-hydroxy-3-methylpentan-3-yl)pent-4-ynamide is sourced from PubChem (CID 106176289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).