N-[(E)-3-aminopropylideneamino]-2,2-dimethylpropanamide;ethane

C10H23N3O — CID 142935970

IUPACN-[(E)-3-aminopropylideneamino]-2,2-dimethylpropanamide;ethane
SMILESCC.CC(C)(C)C(=O)N/N=C/CCN
InChIInChI=1S/C8H17N3O.C2H6/c1-8(2,3)7(12)11-10-6-4-5-9;1-2/h6H,4-5,9H2,1-3H3,(H,11,12);1-2H3/b10-6+;
InChIKeyGVWUCUZGEIPJEC-AAGWESIMSA-N
MW201.31 g/mol
LogP1.51
Rot. Bonds3

About N-[(E)-3-aminopropylideneamino]-2,2-dimethylpropanamide;ethane

N-[(E)-3-aminopropylideneamino]-2,2-dimethylpropanamide;ethane (PubChem CID 142935970) has the molecular formula C10H23N3O and a molecular weight of 201.31 g/mol. Its IUPAC name is N-[(E)-3-aminopropylideneamino]-2,2-dimethylpropanamide;ethane.

Molecular Properties

Compound NameN-[(E)-3-aminopropylideneamino]-2,2-dimethylpropanamide;ethane
PubChem CID142935970
Molecular FormulaC10H23N3O
Molecular Weight201.31 g/mol
Exact Mass201.18
IUPAC NameN-[(E)-3-aminopropylideneamino]-2,2-dimethylpropanamide;ethane
SMILESCC.CC(C)(C)C(=O)N/N=C/CCN
InChIInChI=1S/C8H17N3O.C2H6/c1-8(2,3)7(12)11-10-6-4-5-9;1-2/h6H,4-5,9H2,1-3H3,(H,11,12);1-2H3/b10-6+;
InChIKeyGVWUCUZGEIPJEC-AAGWESIMSA-N
XLogP1.51
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.51
H-Bond Donors ≤ 52
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-(2,2-dimethylpropylidene)cyclopropane-1-carbohydrazide
CID 9584152
4,4-dimethyl-1H-pyrazol-5-one
CID 12878845
N-(2,2-dimethylpropylideneamino)cyclopropanecarboxamide
CID 2818738
N-[(E)-2,2-dimethylpropylideneamino]acetamide
CID 11389440
Acetic acid isobutylidene-hydrazide
CID 519289
N-[(E)-2,2-dimethylpropylideneamino]-2,2-dimethylpropanamide
CID 12649587
N-(hexylideneamino)acetamide
CID 72747477
N-[(Z)-hexylideneamino]acetamide
CID 101620605
N-(butylideneamino)acetamide
CID 4121710
N-[(Z)-butylideneamino]acetamide
CID 6015140
Acetic acid, 2-(2-methylpropylidene)hydrazide
CID 9604622
3-methyl-N-[(E)-2-methylpropylideneamino]butanamide
CID 9660249

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-aminopropylideneamino]-2,2-dimethylpropanamide;ethane?
The IUPAC name of N-[(E)-3-aminopropylideneamino]-2,2-dimethylpropanamide;ethane (CID 142935970) is N-[(E)-3-aminopropylideneamino]-2,2-dimethylpropanamide;ethane.
What is the SMILES notation for N-[(E)-3-aminopropylideneamino]-2,2-dimethylpropanamide;ethane?
The canonical SMILES for N-[(E)-3-aminopropylideneamino]-2,2-dimethylpropanamide;ethane is CC.CC(C)(C)C(=O)N/N=C/CCN.
What is the InChIKey of N-[(E)-3-aminopropylideneamino]-2,2-dimethylpropanamide;ethane?
The InChIKey is GVWUCUZGEIPJEC-AAGWESIMSA-N. The full InChI is InChI=1S/C8H17N3O.C2H6/c1-8(2,3)7(12)11-10-6-4-5-9;1-2/h6H,4-5,9H2,1-3H3,(H,11,12);1-2H3/b10-6+;.
What are the key properties of N-[(E)-3-aminopropylideneamino]-2,2-dimethylpropanamide;ethane?
N-[(E)-3-aminopropylideneamino]-2,2-dimethylpropanamide;ethane has a molecular weight of 201.31 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-aminopropylideneamino]-2,2-dimethylpropanamide;ethane is sourced from PubChem (CID 142935970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).