ethane;N-methyl-2-(methylamino)-N-(3-prop-1-en-2-yliminoprop-1-en-2-yl)acetamide

C12H23N3O — CID 145198062

IUPACethane;N-methyl-2-(methylamino)-N-(3-prop-1-en-2-yliminoprop-1-en-2-yl)acetamide
SMILESC=C(C)/N=C/C(=C)N(C)C(=O)CNC.CC
InChIInChI=1S/C10H17N3O.C2H6/c1-8(2)12-6-9(3)13(5)10(14)7-11-4;1-2/h6,11H,1,3,7H2,2,4-5H3;1-2H3/b12-6+;
InChIKeyUXEXSZPPCJAUBT-WXIWBVQFSA-N
MW225.34 g/mol
LogP1.81
Rot. Bonds5

About ethane;N-methyl-2-(methylamino)-N-(3-prop-1-en-2-yliminoprop-1-en-2-yl)acetamide

ethane;N-methyl-2-(methylamino)-N-(3-prop-1-en-2-yliminoprop-1-en-2-yl)acetamide (PubChem CID 145198062) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is ethane;N-methyl-2-(methylamino)-N-(3-prop-1-en-2-yliminoprop-1-en-2-yl)acetamide.

Molecular Properties

Compound Nameethane;N-methyl-2-(methylamino)-N-(3-prop-1-en-2-yliminoprop-1-en-2-yl)acetamide
PubChem CID145198062
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Nameethane;N-methyl-2-(methylamino)-N-(3-prop-1-en-2-yliminoprop-1-en-2-yl)acetamide
SMILESC=C(C)/N=C/C(=C)N(C)C(=O)CNC.CC
InChIInChI=1S/C10H17N3O.C2H6/c1-8(2)12-6-9(3)13(5)10(14)7-11-4;1-2/h6,11H,1,3,7H2,2,4-5H3;1-2H3/b12-6+;
InChIKeyUXEXSZPPCJAUBT-WXIWBVQFSA-N
XLogP1.81
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.81
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-methyl-N-(2-methyl-4H-azepin-6-yl)-2-(propan-2-ylamino)acetamide
CID 67563016
2-[[(E)-3-[2-(dimethylamino)ethylamino]but-2-enylidene]amino]-N-methylacetamide
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N-ethyl-N-methyl-2-[(2-methyl-4H-azepin-6-yl)amino]acetamide
CID 134406083
1-[(E)-1-prop-1-en-2-yliminobut-2-en-2-yl]piperazin-2-one
CID 134406218
3-methyl-1-[(E)-1-prop-1-en-2-yliminobut-2-en-2-yl]piperazin-2-one
CID 134406472
N-[2-(methylamino)ethyl]-N-[(E)-1-prop-1-en-2-yliminobut-2-en-2-yl]acetamide
CID 134406768
N-methyl-2-(2-methyl-1,4-diazepin-1-yl)acetamide
CID 141144618
2-amino-N-methyl-N-(3-prop-1-en-2-yliminoprop-1-en-2-yl)butanamide;ethane
CID 145197681
Ethane;4-[2-(prop-1-en-2-yliminomethyl)prop-2-enyl]piperazin-2-one
CID 145197758
N-methyl-N-propan-2-yl-2-(prop-1-en-2-ylamino)acetamide
CID 154958381
2-(3-aminobut-2-enylideneamino)-N,N-diethylacetamide
CID 173542616
N-[(Z)-2-amino-4-methyliminobut-2-enyl]acetamide;ethane
CID 177244182

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-2-(methylamino)-N-(3-prop-1-en-2-yliminoprop-1-en-2-yl)acetamide?
The IUPAC name of ethane;N-methyl-2-(methylamino)-N-(3-prop-1-en-2-yliminoprop-1-en-2-yl)acetamide (CID 145198062) is ethane;N-methyl-2-(methylamino)-N-(3-prop-1-en-2-yliminoprop-1-en-2-yl)acetamide.
What is the SMILES notation for ethane;N-methyl-2-(methylamino)-N-(3-prop-1-en-2-yliminoprop-1-en-2-yl)acetamide?
The canonical SMILES for ethane;N-methyl-2-(methylamino)-N-(3-prop-1-en-2-yliminoprop-1-en-2-yl)acetamide is C=C(C)/N=C/C(=C)N(C)C(=O)CNC.CC.
What is the InChIKey of ethane;N-methyl-2-(methylamino)-N-(3-prop-1-en-2-yliminoprop-1-en-2-yl)acetamide?
The InChIKey is UXEXSZPPCJAUBT-WXIWBVQFSA-N. The full InChI is InChI=1S/C10H17N3O.C2H6/c1-8(2)12-6-9(3)13(5)10(14)7-11-4;1-2/h6,11H,1,3,7H2,2,4-5H3;1-2H3/b12-6+;.
What are the key properties of ethane;N-methyl-2-(methylamino)-N-(3-prop-1-en-2-yliminoprop-1-en-2-yl)acetamide?
ethane;N-methyl-2-(methylamino)-N-(3-prop-1-en-2-yliminoprop-1-en-2-yl)acetamide has a molecular weight of 225.34 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-2-(methylamino)-N-(3-prop-1-en-2-yliminoprop-1-en-2-yl)acetamide is sourced from PubChem (CID 145198062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).