N,N-dimethyl-N'-[(Z)-2-(methylideneamino)prop-1-enyl]ethanimidamide

C8H15N3 — CID 143787004

IUPACN,N-dimethyl-N'-[(Z)-2-(methylideneamino)prop-1-enyl]ethanimidamide
SMILESC=N/C(C)=C\N=C(/C)N(C)C
InChIInChI=1S/C8H15N3/c1-7(9-3)6-10-8(2)11(4)5/h6H,3H2,1-2,4-5H3/b7-6-,10-8+
InChIKeyMQTOTFFWVFTIPV-VAAURPRASA-N
MW153.23 g/mol
LogP1.53
Rot. Bonds2

About N,N-dimethyl-N'-[(Z)-2-(methylideneamino)prop-1-enyl]ethanimidamide

N,N-dimethyl-N'-[(Z)-2-(methylideneamino)prop-1-enyl]ethanimidamide (PubChem CID 143787004) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is N,N-dimethyl-N'-[(Z)-2-(methylideneamino)prop-1-enyl]ethanimidamide.

Molecular Properties

Compound NameN,N-dimethyl-N'-[(Z)-2-(methylideneamino)prop-1-enyl]ethanimidamide
PubChem CID143787004
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC NameN,N-dimethyl-N'-[(Z)-2-(methylideneamino)prop-1-enyl]ethanimidamide
SMILESC=N/C(C)=C\N=C(/C)N(C)C
InChIInChI=1S/C8H15N3/c1-7(9-3)6-10-8(2)11(4)5/h6H,3H2,1-2,4-5H3/b7-6-,10-8+
InChIKeyMQTOTFFWVFTIPV-VAAURPRASA-N
XLogP1.53
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.53
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

[(E)-3-(dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium
CID 10803918
[3-(Dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium
CID 57359127
[(Z)-3-(dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium
CID 12216197
N'-[1-(dimethylamino)prop-1-en-2-yl]-N,N-dimethylmethanimidamide
CID 57036492
2,5-dimethyl-3-prop-1-enyl-4H-imidazol-4-ide;yttrium
CID 58883613
3-ethenyl-2,5-dimethyl-4H-imidazol-4-ide;rubidium(1+)
CID 59339956
1,2-Dimethyl-4-methylideneimidazol-1-ium
CID 60108902
1,1,2,5-Tetramethylimidazol-1-ium
CID 67204801
1,1,2,4-Tetramethylimidazol-1-ium
CID 67205164
N,N-dimethyl-N'-[(Z)-prop-1-enyl]ethanimidamide
CID 117614807
N-ethenyl-N-methyl-N'-prop-1-en-2-ylpropanimidamide
CID 118612599
N'-methyl-N-propan-2-yl-N-prop-1-en-2-ylethanimidamide
CID 123367208

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-[(Z)-2-(methylideneamino)prop-1-enyl]ethanimidamide?
The IUPAC name of N,N-dimethyl-N'-[(Z)-2-(methylideneamino)prop-1-enyl]ethanimidamide (CID 143787004) is N,N-dimethyl-N'-[(Z)-2-(methylideneamino)prop-1-enyl]ethanimidamide.
What is the SMILES notation for N,N-dimethyl-N'-[(Z)-2-(methylideneamino)prop-1-enyl]ethanimidamide?
The canonical SMILES for N,N-dimethyl-N'-[(Z)-2-(methylideneamino)prop-1-enyl]ethanimidamide is C=N/C(C)=C\N=C(/C)N(C)C.
What is the InChIKey of N,N-dimethyl-N'-[(Z)-2-(methylideneamino)prop-1-enyl]ethanimidamide?
The InChIKey is MQTOTFFWVFTIPV-VAAURPRASA-N. The full InChI is InChI=1S/C8H15N3/c1-7(9-3)6-10-8(2)11(4)5/h6H,3H2,1-2,4-5H3/b7-6-,10-8+.
What are the key properties of N,N-dimethyl-N'-[(Z)-2-(methylideneamino)prop-1-enyl]ethanimidamide?
N,N-dimethyl-N'-[(Z)-2-(methylideneamino)prop-1-enyl]ethanimidamide has a molecular weight of 153.23 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-[(Z)-2-(methylideneamino)prop-1-enyl]ethanimidamide is sourced from PubChem (CID 143787004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).