N-[2-(methylideneamino)-3-(propan-2-ylideneamino)prop-2-enyl]acetamide

C9H15N3O — CID 123878230

IUPACN-[2-(methylideneamino)-3-(propan-2-ylideneamino)prop-2-enyl]acetamide
SMILESC=NC(=CN=C(C)C)CNC(C)=O
InChIInChI=1S/C9H15N3O/c1-7(2)11-5-9(10-4)6-12-8(3)13/h5H,4,6H2,1-3H3,(H,12,13)
InChIKeyXYQLLOPQWBJRFM-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.15
Rot. Bonds4

About N-[2-(methylideneamino)-3-(propan-2-ylideneamino)prop-2-enyl]acetamide

N-[2-(methylideneamino)-3-(propan-2-ylideneamino)prop-2-enyl]acetamide (PubChem CID 123878230) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is N-[2-(methylideneamino)-3-(propan-2-ylideneamino)prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[2-(methylideneamino)-3-(propan-2-ylideneamino)prop-2-enyl]acetamide
PubChem CID123878230
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC NameN-[2-(methylideneamino)-3-(propan-2-ylideneamino)prop-2-enyl]acetamide
SMILESC=NC(=CN=C(C)C)CNC(C)=O
InChIInChI=1S/C9H15N3O/c1-7(2)11-5-9(10-4)6-12-8(3)13/h5H,4,6H2,1-3H3,(H,12,13)
InChIKeyXYQLLOPQWBJRFM-UHFFFAOYSA-N
XLogP1.15
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.15
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

N-[3-(ethylideneamino)-2-(methylideneamino)prop-2-enyl]butanamide
CID 123142341
N-[(5-methyl-1,2-dihydropyrazin-2-yl)methyl]propanamide
CID 129060184
N-[(Z)-2-amino-3-(methylamino)prop-2-enyl]acetamide
CID 135230871
3,6-Dimethyl-1-[2-(propylamino)ethyl]pyrazin-2-one
CID 143038659
N-[2-(prop-2-enylideneamino)prop-2-enyl]acetamide
CID 143158240
ethene;N-[(Z)-2-(methylideneamino)but-2-enyl]acetamide
CID 145591985
N-(2-amino-4-methyliminobut-2-enyl)acetamide
CID 173960273
N-[(Z)-2-amino-4-methyliminobut-2-enyl]acetamide;ethane
CID 177244182
N-[2-(prop-2-enylideneamino)prop-2-enyl]propanamide
CID 143158254
N-[(Z)-2-(methylideneamino)but-2-enyl]acetamide
CID 145591986
N-[(Z)-2-amino-4-methyliminobut-2-enyl]acetamide
CID 166663902

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylideneamino)-3-(propan-2-ylideneamino)prop-2-enyl]acetamide?
The IUPAC name of N-[2-(methylideneamino)-3-(propan-2-ylideneamino)prop-2-enyl]acetamide (CID 123878230) is N-[2-(methylideneamino)-3-(propan-2-ylideneamino)prop-2-enyl]acetamide.
What is the SMILES notation for N-[2-(methylideneamino)-3-(propan-2-ylideneamino)prop-2-enyl]acetamide?
The canonical SMILES for N-[2-(methylideneamino)-3-(propan-2-ylideneamino)prop-2-enyl]acetamide is C=NC(=CN=C(C)C)CNC(C)=O.
What is the InChIKey of N-[2-(methylideneamino)-3-(propan-2-ylideneamino)prop-2-enyl]acetamide?
The InChIKey is XYQLLOPQWBJRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7(2)11-5-9(10-4)6-12-8(3)13/h5H,4,6H2,1-3H3,(H,12,13).
What are the key properties of N-[2-(methylideneamino)-3-(propan-2-ylideneamino)prop-2-enyl]acetamide?
N-[2-(methylideneamino)-3-(propan-2-ylideneamino)prop-2-enyl]acetamide has a molecular weight of 181.24 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylideneamino)-3-(propan-2-ylideneamino)prop-2-enyl]acetamide is sourced from PubChem (CID 123878230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).