2-[[(Z)-1-aminopent-1-en-3-ylidene]amino]-N,N-dimethylacetamide

C9H17N3O — CID 170585456

IUPAC2-[[(Z)-1-aminopent-1-en-3-ylidene]amino]-N,N-dimethylacetamide
SMILESCCC(/C=C\N)=N\CC(=O)N(C)C
InChIInChI=1S/C9H17N3O/c1-4-8(5-6-10)11-7-9(13)12(2)3/h5-6H,4,7,10H2,1-3H3/b6-5-,11-8+
InChIKeyPIFFXMBCSDOLQQ-ZLQDEDOTSA-N
MW183.25 g/mol
LogP0.40
Rot. Bonds4

About 2-[[(Z)-1-aminopent-1-en-3-ylidene]amino]-N,N-dimethylacetamide

2-[[(Z)-1-aminopent-1-en-3-ylidene]amino]-N,N-dimethylacetamide (PubChem CID 170585456) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-[[(Z)-1-aminopent-1-en-3-ylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(Z)-1-aminopent-1-en-3-ylidene]amino]-N,N-dimethylacetamide
PubChem CID170585456
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name2-[[(Z)-1-aminopent-1-en-3-ylidene]amino]-N,N-dimethylacetamide
SMILESCCC(/C=C\N)=N\CC(=O)N(C)C
InChIInChI=1S/C9H17N3O/c1-4-8(5-6-10)11-7-9(13)12(2)3/h5-6H,4,7,10H2,1-3H3/b6-5-,11-8+
InChIKeyPIFFXMBCSDOLQQ-ZLQDEDOTSA-N
XLogP0.40
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[6-(2-aminoethenyl)-3,5-dihydro-2H-pyrazin-4-yl]ethanone
CID 147242123
7-[(Z)-2-aminoethenyl]-4-propan-2-yl-5,6-dihydro-2H-1,4-diazepin-3-one
CID 170585661
4-amino-2-butan-2-ylimino-N,N-dimethylbut-3-enamide
CID 174114278
2-amino-N-[2-[3-ethenyliminopent-4-enyl(methyl)amino]-2-oxoethyl]acetamide
CID 178172509

Frequently Asked Questions

What is the IUPAC name of 2-[[(Z)-1-aminopent-1-en-3-ylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(Z)-1-aminopent-1-en-3-ylidene]amino]-N,N-dimethylacetamide (CID 170585456) is 2-[[(Z)-1-aminopent-1-en-3-ylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(Z)-1-aminopent-1-en-3-ylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(Z)-1-aminopent-1-en-3-ylidene]amino]-N,N-dimethylacetamide is CCC(/C=C\N)=N\CC(=O)N(C)C.
What is the InChIKey of 2-[[(Z)-1-aminopent-1-en-3-ylidene]amino]-N,N-dimethylacetamide?
The InChIKey is PIFFXMBCSDOLQQ-ZLQDEDOTSA-N. The full InChI is InChI=1S/C9H17N3O/c1-4-8(5-6-10)11-7-9(13)12(2)3/h5-6H,4,7,10H2,1-3H3/b6-5-,11-8+.
What are the key properties of 2-[[(Z)-1-aminopent-1-en-3-ylidene]amino]-N,N-dimethylacetamide?
2-[[(Z)-1-aminopent-1-en-3-ylidene]amino]-N,N-dimethylacetamide has a molecular weight of 183.25 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(Z)-1-aminopent-1-en-3-ylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 170585456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).