N-(1-aminobutan-2-yl)-N-methylprop-2-ynamide

C8H14N2O — CID 82502636

IUPACN-(1-aminobutan-2-yl)-N-methylprop-2-ynamide
SMILESC#CC(=O)N(C)C(CC)CN
InChIInChI=1S/C8H14N2O/c1-4-7(6-9)10(3)8(11)5-2/h2,7H,4,6,9H2,1,3H3
InChIKeyFJGIQKUMFMWSLJ-UHFFFAOYSA-N
MW154.21 g/mol
LogP-0.18
Rot. Bonds3

About N-(1-aminobutan-2-yl)-N-methylprop-2-ynamide

N-(1-aminobutan-2-yl)-N-methylprop-2-ynamide (PubChem CID 82502636) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is N-(1-aminobutan-2-yl)-N-methylprop-2-ynamide.

Molecular Properties

Compound NameN-(1-aminobutan-2-yl)-N-methylprop-2-ynamide
PubChem CID82502636
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC NameN-(1-aminobutan-2-yl)-N-methylprop-2-ynamide
SMILESC#CC(=O)N(C)C(CC)CN
InChIInChI=1S/C8H14N2O/c1-4-7(6-9)10(3)8(11)5-2/h2,7H,4,6,9H2,1,3H3
InChIKeyFJGIQKUMFMWSLJ-UHFFFAOYSA-N
XLogP-0.18
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
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-aminobutan-2-yl)-N-methylprop-2-ynamide?
The IUPAC name of N-(1-aminobutan-2-yl)-N-methylprop-2-ynamide (CID 82502636) is N-(1-aminobutan-2-yl)-N-methylprop-2-ynamide.
What is the SMILES notation for N-(1-aminobutan-2-yl)-N-methylprop-2-ynamide?
The canonical SMILES for N-(1-aminobutan-2-yl)-N-methylprop-2-ynamide is C#CC(=O)N(C)C(CC)CN.
What is the InChIKey of N-(1-aminobutan-2-yl)-N-methylprop-2-ynamide?
The InChIKey is FJGIQKUMFMWSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-4-7(6-9)10(3)8(11)5-2/h2,7H,4,6,9H2,1,3H3.
What are the key properties of N-(1-aminobutan-2-yl)-N-methylprop-2-ynamide?
N-(1-aminobutan-2-yl)-N-methylprop-2-ynamide has a molecular weight of 154.21 g/mol, XLogP of -0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminobutan-2-yl)-N-methylprop-2-ynamide is sourced from PubChem (CID 82502636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).