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

C11H26N4 — CID 145267739

IUPACethane;N'-[(E)-2-[methyl-[2-(methylamino)ethyl]amino]prop-1-enyl]ethanimidamide
SMILESCC.CNCCN(C)/C(C)=C/N=C(\C)N
InChIInChI=1S/C9H20N4.C2H6/c1-8(7-12-9(2)10)13(4)6-5-11-3;1-2/h7,11H,5-6H2,1-4H3,(H2,10,12);1-2H3/b8-7+;
InChIKeyMMEICEMJAXONAD-USRGLUTNSA-N
MW214.36 g/mol
LogP1.40
Rot. Bonds5

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

ethane;N'-[(E)-2-[methyl-[2-(methylamino)ethyl]amino]prop-1-enyl]ethanimidamide (PubChem CID 145267739) has the molecular formula C11H26N4 and a molecular weight of 214.36 g/mol. Its IUPAC name is ethane;N'-[(E)-2-[methyl-[2-(methylamino)ethyl]amino]prop-1-enyl]ethanimidamide.

Molecular Properties

Compound Nameethane;N'-[(E)-2-[methyl-[2-(methylamino)ethyl]amino]prop-1-enyl]ethanimidamide
PubChem CID145267739
Molecular FormulaC11H26N4
Molecular Weight214.36 g/mol
Exact Mass214.22
IUPAC Nameethane;N'-[(E)-2-[methyl-[2-(methylamino)ethyl]amino]prop-1-enyl]ethanimidamide
SMILESCC.CNCCN(C)/C(C)=C/N=C(\C)N
InChIInChI=1S/C9H20N4.C2H6/c1-8(7-12-9(2)10)13(4)6-5-11-3;1-2/h7,11H,5-6H2,1-4H3,(H2,10,12);1-2H3/b8-7+;
InChIKeyMMEICEMJAXONAD-USRGLUTNSA-N
XLogP1.40
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.36
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-Amino-4,6-dimethylpyrazine
CID 54502378
N'-methyl-2-[2-[2-(methylamino)prop-2-enylamino]ethylamino]ethanimidamide
CID 89383686
(Z)-3-amino-2-(2-aminoethylamino)-N'-ethenylbut-2-enimidamide
CID 89682228
(Z)-3-amino-N'-[2-(dimethylamino)ethyl]-N-ethenylbut-2-enimidamide
CID 89881702
N-ethenyl-2-[methyl-[2-(methylamino)ethyl]amino]-N'-propylethanimidamide
CID 118970815
N'-[(E)-1-(propan-2-ylamino)prop-1-en-2-yl]ethanimidamide
CID 123307868
N-methyl-N-[2-(methylamino)ethyl]-N'-[(E)-(1-methyl-4H-imidazol-5-ylidene)methyl]ethanimidamide
CID 134268440
N'-[(Z)-3-(dimethylamino)-2-[2-(dimethylamino)ethylamino]prop-1-enyl]methanimidamide
CID 137516353
3,6-Dimethyl-1,8a-dihydroimidazo[1,2-a]pyrazin-8-amine
CID 138576543
N'-[2-[(1-methyl-2H-pyridin-4-yl)amino]ethyl]ethanimidamide
CID 142175218
ethane;N-ethyl-4,6-dimethyl-1,3-dihydropyrazin-2-imine
CID 142345217
3,6-Dimethyl-1,8a-dihydroimidazo[1,2-a]pyrazin-8-amine;ethane
CID 142562202

Frequently Asked Questions

What is the IUPAC name of ethane;N'-[(E)-2-[methyl-[2-(methylamino)ethyl]amino]prop-1-enyl]ethanimidamide?
The IUPAC name of ethane;N'-[(E)-2-[methyl-[2-(methylamino)ethyl]amino]prop-1-enyl]ethanimidamide (CID 145267739) is ethane;N'-[(E)-2-[methyl-[2-(methylamino)ethyl]amino]prop-1-enyl]ethanimidamide.
What is the SMILES notation for ethane;N'-[(E)-2-[methyl-[2-(methylamino)ethyl]amino]prop-1-enyl]ethanimidamide?
The canonical SMILES for ethane;N'-[(E)-2-[methyl-[2-(methylamino)ethyl]amino]prop-1-enyl]ethanimidamide is CC.CNCCN(C)/C(C)=C/N=C(\C)N.
What is the InChIKey of ethane;N'-[(E)-2-[methyl-[2-(methylamino)ethyl]amino]prop-1-enyl]ethanimidamide?
The InChIKey is MMEICEMJAXONAD-USRGLUTNSA-N. The full InChI is InChI=1S/C9H20N4.C2H6/c1-8(7-12-9(2)10)13(4)6-5-11-3;1-2/h7,11H,5-6H2,1-4H3,(H2,10,12);1-2H3/b8-7+;.
What are the key properties of ethane;N'-[(E)-2-[methyl-[2-(methylamino)ethyl]amino]prop-1-enyl]ethanimidamide?
ethane;N'-[(E)-2-[methyl-[2-(methylamino)ethyl]amino]prop-1-enyl]ethanimidamide has a molecular weight of 214.36 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-[(E)-2-[methyl-[2-(methylamino)ethyl]amino]prop-1-enyl]ethanimidamide is sourced from PubChem (CID 145267739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).