ethane;N-[2-[ethyl(methyl)amino]ethyl]-N-methyl-N'-[(Z)-prop-1-enyl]ethanimidamide

C13H29N3 — CID 142022936

IUPACethane;N-[2-[ethyl(methyl)amino]ethyl]-N-methyl-N'-[(Z)-prop-1-enyl]ethanimidamide
SMILESC/C=C\N=C(/C)N(C)CCN(C)CC.CC
InChIInChI=1S/C11H23N3.C2H6/c1-6-8-12-11(3)14(5)10-9-13(4)7-2;1-2/h6,8H,7,9-10H2,1-5H3;1-2H3/b8-6-,12-11+;
InChIKeyDENIDQMZVCNJQY-PDNORIGOSA-N
MW227.40 g/mol
LogP2.85
Rot. Bonds5

About ethane;N-[2-[ethyl(methyl)amino]ethyl]-N-methyl-N'-[(Z)-prop-1-enyl]ethanimidamide

ethane;N-[2-[ethyl(methyl)amino]ethyl]-N-methyl-N'-[(Z)-prop-1-enyl]ethanimidamide (PubChem CID 142022936) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is ethane;N-[2-[ethyl(methyl)amino]ethyl]-N-methyl-N'-[(Z)-prop-1-enyl]ethanimidamide.

Molecular Properties

Compound Nameethane;N-[2-[ethyl(methyl)amino]ethyl]-N-methyl-N'-[(Z)-prop-1-enyl]ethanimidamide
PubChem CID142022936
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC Nameethane;N-[2-[ethyl(methyl)amino]ethyl]-N-methyl-N'-[(Z)-prop-1-enyl]ethanimidamide
SMILESC/C=C\N=C(/C)N(C)CCN(C)CC.CC
InChIInChI=1S/C11H23N3.C2H6/c1-6-8-12-11(3)14(5)10-9-13(4)7-2;1-2/h6,8H,7,9-10H2,1-5H3;1-2H3/b8-6-,12-11+;
InChIKeyDENIDQMZVCNJQY-PDNORIGOSA-N
XLogP2.85
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-Ethyl-2-methyl-1,4-dihydropyrimidine
CID 45087199
Pyrantel Embonate Impurity I
CID 54555363
1-Ethenyl-2-prop-2-enyl-4,5-dihydroimidazole
CID 66693205
3-ethyl-2-methyl-4H-pyrimidine
CID 66729714
1-Ethenyl-2-prop-1-enyl-4,5-dihydroimidazole
CID 67789097
2-methyl-3-propyl-4H-pyrimidine
CID 68059140
3,3-dimethyl-2-propyl-4H-pyrimidin-3-ium
CID 70223891
1-(4-methylpiperazin-1-yl)-N-[(Z)-prop-1-enyl]prop-2-en-1-imine
CID 70293948
N,N,N'-tris(prop-2-enyl)ethanimidamide
CID 87332958
2-[(N-ethenyl-C-methylcarbonimidoyl)-methylamino]ethyl-trimethylazanium
CID 88544386
N-[(1Z)-buta-1,3-dienyl]-1-(4-methylpiperazin-1-yl)ethanimine
CID 89117774
1-(4-methylpiperazin-1-yl)-N-[(Z)-prop-1-enyl]ethanimine
CID 90250320

Frequently Asked Questions

What is the IUPAC name of ethane;N-[2-[ethyl(methyl)amino]ethyl]-N-methyl-N'-[(Z)-prop-1-enyl]ethanimidamide?
The IUPAC name of ethane;N-[2-[ethyl(methyl)amino]ethyl]-N-methyl-N'-[(Z)-prop-1-enyl]ethanimidamide (CID 142022936) is ethane;N-[2-[ethyl(methyl)amino]ethyl]-N-methyl-N'-[(Z)-prop-1-enyl]ethanimidamide.
What is the SMILES notation for ethane;N-[2-[ethyl(methyl)amino]ethyl]-N-methyl-N'-[(Z)-prop-1-enyl]ethanimidamide?
The canonical SMILES for ethane;N-[2-[ethyl(methyl)amino]ethyl]-N-methyl-N'-[(Z)-prop-1-enyl]ethanimidamide is C/C=C\N=C(/C)N(C)CCN(C)CC.CC.
What is the InChIKey of ethane;N-[2-[ethyl(methyl)amino]ethyl]-N-methyl-N'-[(Z)-prop-1-enyl]ethanimidamide?
The InChIKey is DENIDQMZVCNJQY-PDNORIGOSA-N. The full InChI is InChI=1S/C11H23N3.C2H6/c1-6-8-12-11(3)14(5)10-9-13(4)7-2;1-2/h6,8H,7,9-10H2,1-5H3;1-2H3/b8-6-,12-11+;.
What are the key properties of ethane;N-[2-[ethyl(methyl)amino]ethyl]-N-methyl-N'-[(Z)-prop-1-enyl]ethanimidamide?
ethane;N-[2-[ethyl(methyl)amino]ethyl]-N-methyl-N'-[(Z)-prop-1-enyl]ethanimidamide has a molecular weight of 227.40 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[2-[ethyl(methyl)amino]ethyl]-N-methyl-N'-[(Z)-prop-1-enyl]ethanimidamide is sourced from PubChem (CID 142022936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).