N-[(2Z)-2-(aminomethylidene)-3-methyliminobutyl]-2-methylpropanamide

C10H19N3O — CID 155644344

IUPACN-[(2Z)-2-(aminomethylidene)-3-methyliminobutyl]-2-methylpropanamide
SMILESC/N=C(C)/C(=C\N)CNC(=O)C(C)C
InChIInChI=1S/C10H19N3O/c1-7(2)10(14)13-6-9(5-11)8(3)12-4/h5,7H,6,11H2,1-4H3,(H,13,14)/b9-5-,12-8+
InChIKeyCGNGXVOSTGZCFH-ZYEZJADKSA-N
MW197.28 g/mol
LogP0.69
Rot. Bonds4

About N-[(2Z)-2-(aminomethylidene)-3-methyliminobutyl]-2-methylpropanamide

N-[(2Z)-2-(aminomethylidene)-3-methyliminobutyl]-2-methylpropanamide (PubChem CID 155644344) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is N-[(2Z)-2-(aminomethylidene)-3-methyliminobutyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(2Z)-2-(aminomethylidene)-3-methyliminobutyl]-2-methylpropanamide
PubChem CID155644344
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC NameN-[(2Z)-2-(aminomethylidene)-3-methyliminobutyl]-2-methylpropanamide
SMILESC/N=C(C)/C(=C\N)CNC(=O)C(C)C
InChIInChI=1S/C10H19N3O/c1-7(2)10(14)13-6-9(5-11)8(3)12-4/h5,7H,6,11H2,1-4H3,(H,13,14)/b9-5-,12-8+
InChIKeyCGNGXVOSTGZCFH-ZYEZJADKSA-N
XLogP0.69
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-imino-N-(3-methylbut-3-enyl)propanamide
CID 138742171
N-butyl-2-ethenyliminobut-3-enamide
CID 142959978
N-[2-methyl-3-(3-methylbut-3-enylimino)propyl]propanamide
CID 146416578
2,2-dimethyl-N-[(4-methyl-3H-pyrrol-2-yl)methyl]propanamide
CID 147236148
N-[(Z)-2-(N-ethyl-C-methylcarbonimidoyl)but-2-enyl]acetamide;molecular hydrogen
CID 157037320
2,2-dimethyl-N-(3H-pyrrol-4-ylmethyl)propanamide
CID 159070362
(2S)-2-amino-N-[3-(1-aminoethenylimino)-2-methylidenebutyl]propanamide
CID 160307804
(E)-5-(butylamino)-N-ethyl-4-methyl-2-methyliminopent-3-enamide;molecular hydrogen
CID 172596065
N-[(E)-but-2-enyl]-2-ethenyliminobut-3-enamide;ethane
CID 178010298
ethane;2-ethenylimino-N,3-dimethylbut-3-enamide
CID 178149715
N-[(Z)-2-(N-ethyl-C-methylcarbonimidoyl)but-2-enyl]acetamide
CID 157037321
N-[2-(aminomethylidene)-3-methyliminobutyl]-2-methylpropanamide
CID 161264405

Frequently Asked Questions

What is the IUPAC name of N-[(2Z)-2-(aminomethylidene)-3-methyliminobutyl]-2-methylpropanamide?
The IUPAC name of N-[(2Z)-2-(aminomethylidene)-3-methyliminobutyl]-2-methylpropanamide (CID 155644344) is N-[(2Z)-2-(aminomethylidene)-3-methyliminobutyl]-2-methylpropanamide.
What is the SMILES notation for N-[(2Z)-2-(aminomethylidene)-3-methyliminobutyl]-2-methylpropanamide?
The canonical SMILES for N-[(2Z)-2-(aminomethylidene)-3-methyliminobutyl]-2-methylpropanamide is C/N=C(C)/C(=C\N)CNC(=O)C(C)C.
What is the InChIKey of N-[(2Z)-2-(aminomethylidene)-3-methyliminobutyl]-2-methylpropanamide?
The InChIKey is CGNGXVOSTGZCFH-ZYEZJADKSA-N. The full InChI is InChI=1S/C10H19N3O/c1-7(2)10(14)13-6-9(5-11)8(3)12-4/h5,7H,6,11H2,1-4H3,(H,13,14)/b9-5-,12-8+.
What are the key properties of N-[(2Z)-2-(aminomethylidene)-3-methyliminobutyl]-2-methylpropanamide?
N-[(2Z)-2-(aminomethylidene)-3-methyliminobutyl]-2-methylpropanamide has a molecular weight of 197.28 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z)-2-(aminomethylidene)-3-methyliminobutyl]-2-methylpropanamide is sourced from PubChem (CID 155644344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).