N-[(E)-2-methyl-3-[methyl-(methylideneamino)amino]prop-2-enyl]acetamide

C8H15N3O — CID 145408462

IUPACN-[(E)-2-methyl-3-[methyl-(methylideneamino)amino]prop-2-enyl]acetamide
SMILESC=NN(C)/C=C(\C)CNC(C)=O
InChIInChI=1S/C8H15N3O/c1-7(5-10-8(2)12)6-11(4)9-3/h6H,3,5H2,1-2,4H3,(H,10,12)/b7-6+
InChIKeyJOKOBABQXRSZQN-VOTSOKGWSA-N
MW169.23 g/mol
LogP0.57
Rot. Bonds4

About N-[(E)-2-methyl-3-[methyl-(methylideneamino)amino]prop-2-enyl]acetamide

N-[(E)-2-methyl-3-[methyl-(methylideneamino)amino]prop-2-enyl]acetamide (PubChem CID 145408462) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is N-[(E)-2-methyl-3-[methyl-(methylideneamino)amino]prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[(E)-2-methyl-3-[methyl-(methylideneamino)amino]prop-2-enyl]acetamide
PubChem CID145408462
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC NameN-[(E)-2-methyl-3-[methyl-(methylideneamino)amino]prop-2-enyl]acetamide
SMILESC=NN(C)/C=C(\C)CNC(C)=O
InChIInChI=1S/C8H15N3O/c1-7(5-10-8(2)12)6-11(4)9-3/h6H,3,5H2,1-2,4H3,(H,10,12)/b7-6+
InChIKeyJOKOBABQXRSZQN-VOTSOKGWSA-N
XLogP0.57
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1,2-dimethyl-3H-pyrazol-4-yl)methyl]acetamide
CID 143571872
N-[(Z)-3-amino-2-methanimidoylprop-2-enyl]acetamide
CID 144946520
N-[(E)-3-amino-2-methylprop-2-enyl]acetamide
CID 173476151
N-[(Z)-3-(methylideneamino)-2-(methyliminomethyl)prop-2-enyl]acetamide
CID 144904331

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-methyl-3-[methyl-(methylideneamino)amino]prop-2-enyl]acetamide?
The IUPAC name of N-[(E)-2-methyl-3-[methyl-(methylideneamino)amino]prop-2-enyl]acetamide (CID 145408462) is N-[(E)-2-methyl-3-[methyl-(methylideneamino)amino]prop-2-enyl]acetamide.
What is the SMILES notation for N-[(E)-2-methyl-3-[methyl-(methylideneamino)amino]prop-2-enyl]acetamide?
The canonical SMILES for N-[(E)-2-methyl-3-[methyl-(methylideneamino)amino]prop-2-enyl]acetamide is C=NN(C)/C=C(\C)CNC(C)=O.
What is the InChIKey of N-[(E)-2-methyl-3-[methyl-(methylideneamino)amino]prop-2-enyl]acetamide?
The InChIKey is JOKOBABQXRSZQN-VOTSOKGWSA-N. The full InChI is InChI=1S/C8H15N3O/c1-7(5-10-8(2)12)6-11(4)9-3/h6H,3,5H2,1-2,4H3,(H,10,12)/b7-6+.
What are the key properties of N-[(E)-2-methyl-3-[methyl-(methylideneamino)amino]prop-2-enyl]acetamide?
N-[(E)-2-methyl-3-[methyl-(methylideneamino)amino]prop-2-enyl]acetamide has a molecular weight of 169.23 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-methyl-3-[methyl-(methylideneamino)amino]prop-2-enyl]acetamide is sourced from PubChem (CID 145408462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).