N-[amino-(3-methylbut-1-en-2-ylamino)methylidene]-N'-[(3E)-hexa-1,3,5-trien-3-yl]ethanimidamide;butane;ethane

C20H38N4 — CID 142393969

IUPACN-[amino-(3-methylbut-1-en-2-ylamino)methylidene]-N'-[(3E)-hexa-1,3,5-trien-3-yl]ethanimidamide;butane;ethane
SMILESC=C/C=C(C=C)/N=C(C)/N=C(\N)NC(=C)C(C)C.CC.CCCC
InChIInChI=1S/C14H22N4.C4H10.C2H6/c1-7-9-13(8-2)17-12(6)18-14(15)16-11(5)10(3)4;1-3-4-2;1-2/h7-10H,1-2,5H2,3-4,6H3,(H3,15,16,17,18);3-4H2,1-2H3;1-2H3/b13-9+;;
InChIKeyWBAKVNKWDHDOMR-IGUOPLJTSA-N
MW334.55 g/mol
LogP5.57
Rot. Bonds6

About N-[amino-(3-methylbut-1-en-2-ylamino)methylidene]-N'-[(3E)-hexa-1,3,5-trien-3-yl]ethanimidamide;butane;ethane

N-[amino-(3-methylbut-1-en-2-ylamino)methylidene]-N'-[(3E)-hexa-1,3,5-trien-3-yl]ethanimidamide;butane;ethane (PubChem CID 142393969) has the molecular formula C20H38N4 and a molecular weight of 334.55 g/mol. Its IUPAC name is N-[amino-(3-methylbut-1-en-2-ylamino)methylidene]-N'-[(3E)-hexa-1,3,5-trien-3-yl]ethanimidamide;butane;ethane.

Molecular Properties

Compound NameN-[amino-(3-methylbut-1-en-2-ylamino)methylidene]-N'-[(3E)-hexa-1,3,5-trien-3-yl]ethanimidamide;butane;ethane
PubChem CID142393969
Molecular FormulaC20H38N4
Molecular Weight334.55 g/mol
Exact Mass334.31
IUPAC NameN-[amino-(3-methylbut-1-en-2-ylamino)methylidene]-N'-[(3E)-hexa-1,3,5-trien-3-yl]ethanimidamide;butane;ethane
SMILESC=C/C=C(C=C)/N=C(C)/N=C(\N)NC(=C)C(C)C.CC.CCCC
InChIInChI=1S/C14H22N4.C4H10.C2H6/c1-7-9-13(8-2)17-12(6)18-14(15)16-11(5)10(3)4;1-3-4-2;1-2/h7-10H,1-2,5H2,3-4,6H3,(H3,15,16,17,18);3-4H2,1-2H3;1-2H3/b13-9+;;
InChIKeyWBAKVNKWDHDOMR-IGUOPLJTSA-N
XLogP5.57
TPSA62.77 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.55
LogP ≤ 55.57
H-Bond Donors ≤ 52
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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2,4,6,8,10,16-Hexamethyl-12,14-dimethylidene-1,3,5,7,9,11,13-heptazacyclohexadeca-2,4,6,8,10,15-hexaene
CID 22086201
ethane;N-[(3Z)-5-methylhexa-3,5-dien-3-yl]-N'-[(3E)-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-2-yl]ethanimidamide
CID 143995417
ethane;2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-[(3E)-hexa-3,5-dien-3-yl]guanidine
CID 145203944
N-[amino-(3-methylbut-1-en-2-ylamino)methylidene]-N'-[(3E)-hexa-1,3,5-trien-3-yl]ethanimidamide
CID 142393970

Frequently Asked Questions

What is the IUPAC name of N-[amino-(3-methylbut-1-en-2-ylamino)methylidene]-N'-[(3E)-hexa-1,3,5-trien-3-yl]ethanimidamide;butane;ethane?
The IUPAC name of N-[amino-(3-methylbut-1-en-2-ylamino)methylidene]-N'-[(3E)-hexa-1,3,5-trien-3-yl]ethanimidamide;butane;ethane (CID 142393969) is N-[amino-(3-methylbut-1-en-2-ylamino)methylidene]-N'-[(3E)-hexa-1,3,5-trien-3-yl]ethanimidamide;butane;ethane.
What is the SMILES notation for N-[amino-(3-methylbut-1-en-2-ylamino)methylidene]-N'-[(3E)-hexa-1,3,5-trien-3-yl]ethanimidamide;butane;ethane?
The canonical SMILES for N-[amino-(3-methylbut-1-en-2-ylamino)methylidene]-N'-[(3E)-hexa-1,3,5-trien-3-yl]ethanimidamide;butane;ethane is C=C/C=C(C=C)/N=C(C)/N=C(\N)NC(=C)C(C)C.CC.CCCC.
What is the InChIKey of N-[amino-(3-methylbut-1-en-2-ylamino)methylidene]-N'-[(3E)-hexa-1,3,5-trien-3-yl]ethanimidamide;butane;ethane?
The InChIKey is WBAKVNKWDHDOMR-IGUOPLJTSA-N. The full InChI is InChI=1S/C14H22N4.C4H10.C2H6/c1-7-9-13(8-2)17-12(6)18-14(15)16-11(5)10(3)4;1-3-4-2;1-2/h7-10H,1-2,5H2,3-4,6H3,(H3,15,16,17,18);3-4H2,1-2H3;1-2H3/b13-9+;;.
What are the key properties of N-[amino-(3-methylbut-1-en-2-ylamino)methylidene]-N'-[(3E)-hexa-1,3,5-trien-3-yl]ethanimidamide;butane;ethane?
N-[amino-(3-methylbut-1-en-2-ylamino)methylidene]-N'-[(3E)-hexa-1,3,5-trien-3-yl]ethanimidamide;butane;ethane has a molecular weight of 334.55 g/mol, XLogP of 5.57, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino-(3-methylbut-1-en-2-ylamino)methylidene]-N'-[(3E)-hexa-1,3,5-trien-3-yl]ethanimidamide;butane;ethane is sourced from PubChem (CID 142393969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).