(C,N-dimethylcarbonimidoyl)-methyl-prop-2-enylideneazanium;ethane

C11H25N2+ — CID 163368726

IUPAC(C,N-dimethylcarbonimidoyl)-methyl-prop-2-enylideneazanium;ethane
SMILESC=C/C=[N+](C)/C(C)=N/C.CC.CC
InChIInChI=1S/C7H13N2.2C2H6/c1-5-6-9(4)7(2)8-3;2*1-2/h5-6H,1H2,2-4H3;2*1-2H3/q+1;;/b8-7+,9-6+;;
InChIKeyXYMFIUZEXSDDHL-JPMDGWNPSA-N
MW185.33 g/mol
LogP2.99
Rot. Bonds1

About (C,N-dimethylcarbonimidoyl)-methyl-prop-2-enylideneazanium;ethane

(C,N-dimethylcarbonimidoyl)-methyl-prop-2-enylideneazanium;ethane (PubChem CID 163368726) has the molecular formula C11H25N2+ and a molecular weight of 185.33 g/mol. Its IUPAC name is (C,N-dimethylcarbonimidoyl)-methyl-prop-2-enylideneazanium;ethane.

Molecular Properties

Compound Name(C,N-dimethylcarbonimidoyl)-methyl-prop-2-enylideneazanium;ethane
PubChem CID163368726
Molecular FormulaC11H25N2+
Molecular Weight185.33 g/mol
Exact Mass185.20
IUPAC Name(C,N-dimethylcarbonimidoyl)-methyl-prop-2-enylideneazanium;ethane
SMILESC=C/C=[N+](C)/C(C)=N/C.CC.CC
InChIInChI=1S/C7H13N2.2C2H6/c1-5-6-9(4)7(2)8-3;2*1-2/h5-6H,1H2,2-4H3;2*1-2H3/q+1;;/b8-7+,9-6+;;
InChIKeyXYMFIUZEXSDDHL-JPMDGWNPSA-N
XLogP2.99
TPSA15.37 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.33
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-N'-prop-2-enylpropanimidamide
CID 85541368
N,N,N'-tris(prop-2-enyl)ethanimidamide
CID 87332958
N'-methyl-N-prop-2-enylideneethanimidamide
CID 89331290
3-[(Z)-but-2-enylidene]-1-ethyl-1,2-dimethylguanidine
CID 123155667
N-prop-2-enylidene-N'-propylethanimidamide
CID 123246281
N'-(2-methylpropyl)-N-prop-2-enylideneethanimidamide
CID 123694238
But-2-enylidene-methyl-(methyliminomethyl)azanium
CID 123733350
Methyl-(methyliminomethyl)-prop-2-enylideneazanium
CID 123825466
N-methyl-1-[(Z)-prop-1-enyl]pyrazin-2-imine
CID 126688038
N'-methyl-N-prop-2-enylidenebutanimidamide
CID 134462728
ethane;N'-ethyl-N-prop-2-enylidenemethanimidamide
CID 143433350
ethane;N'-methyl-N-prop-2-enylideneethanimidamide
CID 143516231

Frequently Asked Questions

What is the IUPAC name of (C,N-dimethylcarbonimidoyl)-methyl-prop-2-enylideneazanium;ethane?
The IUPAC name of (C,N-dimethylcarbonimidoyl)-methyl-prop-2-enylideneazanium;ethane (CID 163368726) is (C,N-dimethylcarbonimidoyl)-methyl-prop-2-enylideneazanium;ethane.
What is the SMILES notation for (C,N-dimethylcarbonimidoyl)-methyl-prop-2-enylideneazanium;ethane?
The canonical SMILES for (C,N-dimethylcarbonimidoyl)-methyl-prop-2-enylideneazanium;ethane is C=C/C=[N+](C)/C(C)=N/C.CC.CC.
What is the InChIKey of (C,N-dimethylcarbonimidoyl)-methyl-prop-2-enylideneazanium;ethane?
The InChIKey is XYMFIUZEXSDDHL-JPMDGWNPSA-N. The full InChI is InChI=1S/C7H13N2.2C2H6/c1-5-6-9(4)7(2)8-3;2*1-2/h5-6H,1H2,2-4H3;2*1-2H3/q+1;;/b8-7+,9-6+;;.
What are the key properties of (C,N-dimethylcarbonimidoyl)-methyl-prop-2-enylideneazanium;ethane?
(C,N-dimethylcarbonimidoyl)-methyl-prop-2-enylideneazanium;ethane has a molecular weight of 185.33 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (C,N-dimethylcarbonimidoyl)-methyl-prop-2-enylideneazanium;ethane is sourced from PubChem (CID 163368726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).