N-(1-amino-3-methylbutan-2-yl)but-2-ynamide

C9H16N2O — CID 107990479

IUPACN-(1-amino-3-methylbutan-2-yl)but-2-ynamide
SMILESCC#CC(=O)NC(CN)C(C)C
InChIInChI=1S/C9H16N2O/c1-4-5-9(12)11-8(6-10)7(2)3/h7-8H,6,10H2,1-3H3,(H,11,12)
InChIKeyMOIVYVRZUMWMJJ-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.11
Rot. Bonds3

About N-(1-amino-3-methylbutan-2-yl)but-2-ynamide

N-(1-amino-3-methylbutan-2-yl)but-2-ynamide (PubChem CID 107990479) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is N-(1-amino-3-methylbutan-2-yl)but-2-ynamide.

Molecular Properties

Compound NameN-(1-amino-3-methylbutan-2-yl)but-2-ynamide
PubChem CID107990479
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC NameN-(1-amino-3-methylbutan-2-yl)but-2-ynamide
SMILESCC#CC(=O)NC(CN)C(C)C
InChIInChI=1S/C9H16N2O/c1-4-5-9(12)11-8(6-10)7(2)3/h7-8H,6,10H2,1-3H3,(H,11,12)
InChIKeyMOIVYVRZUMWMJJ-UHFFFAOYSA-N
XLogP0.11
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.11
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 N-(1-amino-3-methylbutan-2-yl)but-2-ynamide?
The IUPAC name of N-(1-amino-3-methylbutan-2-yl)but-2-ynamide (CID 107990479) is N-(1-amino-3-methylbutan-2-yl)but-2-ynamide.
What is the SMILES notation for N-(1-amino-3-methylbutan-2-yl)but-2-ynamide?
The canonical SMILES for N-(1-amino-3-methylbutan-2-yl)but-2-ynamide is CC#CC(=O)NC(CN)C(C)C.
What is the InChIKey of N-(1-amino-3-methylbutan-2-yl)but-2-ynamide?
The InChIKey is MOIVYVRZUMWMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-4-5-9(12)11-8(6-10)7(2)3/h7-8H,6,10H2,1-3H3,(H,11,12).
What are the key properties of N-(1-amino-3-methylbutan-2-yl)but-2-ynamide?
N-(1-amino-3-methylbutan-2-yl)but-2-ynamide has a molecular weight of 168.24 g/mol, XLogP of 0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-methylbutan-2-yl)but-2-ynamide is sourced from PubChem (CID 107990479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).