N-butan-2-yl-2-methyliminopropanamide

C8H16N2O — CID 20701559

IUPACN-butan-2-yl-2-methyliminopropanamide
SMILESCCC(C)NC(=O)/C(C)=N/C
InChIInChI=1S/C8H16N2O/c1-5-6(2)10-8(11)7(3)9-4/h6H,5H2,1-4H3,(H,10,11)/b9-7+
InChIKeyMCIJWOSWEUGUQS-VQHVLOKHSA-N
MW156.23 g/mol
LogP0.99
Rot. Bonds3

About N-butan-2-yl-2-methyliminopropanamide

N-butan-2-yl-2-methyliminopropanamide (PubChem CID 20701559) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is N-butan-2-yl-2-methyliminopropanamide.

Molecular Properties

Compound NameN-butan-2-yl-2-methyliminopropanamide
PubChem CID20701559
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC NameN-butan-2-yl-2-methyliminopropanamide
SMILESCCC(C)NC(=O)/C(C)=N/C
InChIInChI=1S/C8H16N2O/c1-5-6(2)10-8(11)7(3)9-4/h6H,5H2,1-4H3,(H,10,11)/b9-7+
InChIKeyMCIJWOSWEUGUQS-VQHVLOKHSA-N
XLogP0.99
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-methyliminopropanamide?
The IUPAC name of N-butan-2-yl-2-methyliminopropanamide (CID 20701559) is N-butan-2-yl-2-methyliminopropanamide.
What is the SMILES notation for N-butan-2-yl-2-methyliminopropanamide?
The canonical SMILES for N-butan-2-yl-2-methyliminopropanamide is CCC(C)NC(=O)/C(C)=N/C.
What is the InChIKey of N-butan-2-yl-2-methyliminopropanamide?
The InChIKey is MCIJWOSWEUGUQS-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H16N2O/c1-5-6(2)10-8(11)7(3)9-4/h6H,5H2,1-4H3,(H,10,11)/b9-7+.
What are the key properties of N-butan-2-yl-2-methyliminopropanamide?
N-butan-2-yl-2-methyliminopropanamide has a molecular weight of 156.23 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-methyliminopropanamide is sourced from PubChem (CID 20701559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).