N-[(Z)-but-3-en-2-ylideneamino]-N-methylethenamine;ethane

C11H24N2 — CID 177175992

IUPACN-[(Z)-but-3-en-2-ylideneamino]-N-methylethenamine;ethane
SMILESC=C/C(C)=N\N(C)C=C.CC.CC
InChIInChI=1S/C7H12N2.2C2H6/c1-5-7(3)8-9(4)6-2;2*1-2/h5-6H,1-2H2,3-4H3;2*1-2H3/b8-7-;;
InChIKeyZBPNJJGXDKHTMM-OTMFCZTRSA-N
MW184.33 g/mol
LogP3.68
Rot. Bonds3

About N-[(Z)-but-3-en-2-ylideneamino]-N-methylethenamine;ethane

N-[(Z)-but-3-en-2-ylideneamino]-N-methylethenamine;ethane (PubChem CID 177175992) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is N-[(Z)-but-3-en-2-ylideneamino]-N-methylethenamine;ethane.

Molecular Properties

Compound NameN-[(Z)-but-3-en-2-ylideneamino]-N-methylethenamine;ethane
PubChem CID177175992
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC NameN-[(Z)-but-3-en-2-ylideneamino]-N-methylethenamine;ethane
SMILESC=C/C(C)=N\N(C)C=C.CC.CC
InChIInChI=1S/C7H12N2.2C2H6/c1-5-7(3)8-9(4)6-2;2*1-2/h5-6H,1-2H2,3-4H3;2*1-2H3/b8-7-;;
InChIKeyZBPNJJGXDKHTMM-OTMFCZTRSA-N
XLogP3.68
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]ethenamine
CID 170123131
(Z)-N'-[(Z)-but-3-en-2-ylideneamino]-N,N,N'-trimethylethene-1,2-diamine
CID 170009667
N-(but-3-en-2-ylideneamino)-N-methylmethanamine
CID 535821
ethane;(Z)-N-(methylideneamino)but-3-en-2-imine
CID 143330418
(3E)-3-[ethenyl(methyl)hydrazinylidene]-N-methylbutan-1-amine
CID 142531060
N'-[(Z)-but-3-en-2-ylideneamino]-N-methylidenemethanimidamide;ethane
CID 143657698
N-[(Z)-but-3-en-2-ylideneamino]methanamine;ethane
CID 142586154
(1E)-N,N-dimethylprop-2-enehydrazonoyl chloride
CID 166849863
N-[(Z)-but-2-en-2-yl]but-3-en-2-imine;ethane
CID 142047244
N-[(Z)-but-2-en-2-yl]but-3-en-2-imine;ethane
CID 142047288
2-(but-3-en-2-ylideneamino)ethenamine
CID 146739321
ethane;N-ethenyl-N,N'-dimethylethanimidamide
CID 143394266

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-but-3-en-2-ylideneamino]-N-methylethenamine;ethane?
The IUPAC name of N-[(Z)-but-3-en-2-ylideneamino]-N-methylethenamine;ethane (CID 177175992) is N-[(Z)-but-3-en-2-ylideneamino]-N-methylethenamine;ethane.
What is the SMILES notation for N-[(Z)-but-3-en-2-ylideneamino]-N-methylethenamine;ethane?
The canonical SMILES for N-[(Z)-but-3-en-2-ylideneamino]-N-methylethenamine;ethane is C=C/C(C)=N\N(C)C=C.CC.CC.
What is the InChIKey of N-[(Z)-but-3-en-2-ylideneamino]-N-methylethenamine;ethane?
The InChIKey is ZBPNJJGXDKHTMM-OTMFCZTRSA-N. The full InChI is InChI=1S/C7H12N2.2C2H6/c1-5-7(3)8-9(4)6-2;2*1-2/h5-6H,1-2H2,3-4H3;2*1-2H3/b8-7-;;.
What are the key properties of N-[(Z)-but-3-en-2-ylideneamino]-N-methylethenamine;ethane?
N-[(Z)-but-3-en-2-ylideneamino]-N-methylethenamine;ethane has a molecular weight of 184.33 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-but-3-en-2-ylideneamino]-N-methylethenamine;ethane is sourced from PubChem (CID 177175992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).