2-amino-N-(3-amino-3-methyl-2-oxobutyl)-N-methylacetamide;but-1-ene

C12H25N3O2 — CID 176672047

IUPAC2-amino-N-(3-amino-3-methyl-2-oxobutyl)-N-methylacetamide;but-1-ene
SMILESC=CCC.CN(CC(=O)C(C)(C)N)C(=O)CN
InChIInChI=1S/C8H17N3O2.C4H8/c1-8(2,10)6(12)5-11(3)7(13)4-9;1-3-4-2/h4-5,9-10H2,1-3H3;3H,1,4H2,2H3
InChIKeyQUFOTRTYNFJKBD-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.29
Rot. Bonds5

About 2-amino-N-(3-amino-3-methyl-2-oxobutyl)-N-methylacetamide;but-1-ene

2-amino-N-(3-amino-3-methyl-2-oxobutyl)-N-methylacetamide;but-1-ene (PubChem CID 176672047) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-amino-N-(3-amino-3-methyl-2-oxobutyl)-N-methylacetamide;but-1-ene.

Molecular Properties

Compound Name2-amino-N-(3-amino-3-methyl-2-oxobutyl)-N-methylacetamide;but-1-ene
PubChem CID176672047
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name2-amino-N-(3-amino-3-methyl-2-oxobutyl)-N-methylacetamide;but-1-ene
SMILESC=CCC.CN(CC(=O)C(C)(C)N)C(=O)CN
InChIInChI=1S/C8H17N3O2.C4H8/c1-8(2,10)6(12)5-11(3)7(13)4-9;1-3-4-2/h4-5,9-10H2,1-3H3;3H,1,4H2,2H3
InChIKeyQUFOTRTYNFJKBD-UHFFFAOYSA-N
XLogP0.29
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-amino-3-methyl-2-oxobutyl)-N-methylacetamide;but-1-ene?
The IUPAC name of 2-amino-N-(3-amino-3-methyl-2-oxobutyl)-N-methylacetamide;but-1-ene (CID 176672047) is 2-amino-N-(3-amino-3-methyl-2-oxobutyl)-N-methylacetamide;but-1-ene.
What is the SMILES notation for 2-amino-N-(3-amino-3-methyl-2-oxobutyl)-N-methylacetamide;but-1-ene?
The canonical SMILES for 2-amino-N-(3-amino-3-methyl-2-oxobutyl)-N-methylacetamide;but-1-ene is C=CCC.CN(CC(=O)C(C)(C)N)C(=O)CN.
What is the InChIKey of 2-amino-N-(3-amino-3-methyl-2-oxobutyl)-N-methylacetamide;but-1-ene?
The InChIKey is QUFOTRTYNFJKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2.C4H8/c1-8(2,10)6(12)5-11(3)7(13)4-9;1-3-4-2/h4-5,9-10H2,1-3H3;3H,1,4H2,2H3.
What are the key properties of 2-amino-N-(3-amino-3-methyl-2-oxobutyl)-N-methylacetamide;but-1-ene?
2-amino-N-(3-amino-3-methyl-2-oxobutyl)-N-methylacetamide;but-1-ene has a molecular weight of 243.35 g/mol, XLogP of 0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-amino-3-methyl-2-oxobutyl)-N-methylacetamide;but-1-ene is sourced from PubChem (CID 176672047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).