ethane;N'-methyl-N-[(4Z,8Z)-3,6,7-trimethylideneundeca-4,8,10-trien-2-ylidene]ethanimidamide

C19H28N2 — CID 142608345

IUPACethane;N'-methyl-N-[(4Z,8Z)-3,6,7-trimethylideneundeca-4,8,10-trien-2-ylidene]ethanimidamide
SMILESC=C/C=C\C(=C)C(=C)/C=C\C(=C)/C(C)=N/C(C)=N/C.CC
InChIInChI=1S/C17H22N2.C2H6/c1-8-9-10-13(2)14(3)11-12-15(4)16(5)19-17(6)18-7;1-2/h8-12H,1-4H2,5-7H3;1-2H3/b10-9-,12-11-,18-17+,19-16+;
InChIKeyPGDXHINEZCMKTE-VJFAACKYSA-N
MW284.45 g/mol
LogP5.49
Rot. Bonds6

About ethane;N'-methyl-N-[(4Z,8Z)-3,6,7-trimethylideneundeca-4,8,10-trien-2-ylidene]ethanimidamide

ethane;N'-methyl-N-[(4Z,8Z)-3,6,7-trimethylideneundeca-4,8,10-trien-2-ylidene]ethanimidamide (PubChem CID 142608345) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is ethane;N'-methyl-N-[(4Z,8Z)-3,6,7-trimethylideneundeca-4,8,10-trien-2-ylidene]ethanimidamide.

Molecular Properties

Compound Nameethane;N'-methyl-N-[(4Z,8Z)-3,6,7-trimethylideneundeca-4,8,10-trien-2-ylidene]ethanimidamide
PubChem CID142608345
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC Nameethane;N'-methyl-N-[(4Z,8Z)-3,6,7-trimethylideneundeca-4,8,10-trien-2-ylidene]ethanimidamide
SMILESC=C/C=C\C(=C)C(=C)/C=C\C(=C)/C(C)=N/C(C)=N/C.CC
InChIInChI=1S/C17H22N2.C2H6/c1-8-9-10-13(2)14(3)11-12-15(4)16(5)19-17(6)18-7;1-2/h8-12H,1-4H2,5-7H3;1-2H3/b10-9-,12-11-,18-17+,19-16+;
InChIKeyPGDXHINEZCMKTE-VJFAACKYSA-N
XLogP5.49
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.45
LogP ≤ 55.49
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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(NZ)-N-[(4E)-5-fluoro-2-methylhepta-1,4,6-trien-3-ylidene]-N'-methylcarbamimidoyl chloride
CID 142498574
N-[(3E,5Z)-3-fluoro-5-methylhepta-3,5-dien-2-ylidene]-N'-methylethanimidamide
CID 170031327
1-N,2-N,4-trimethylcyclohexa-3,5-diene-1,2-diimine
CID 53921814
(3Z)-3-ethenyl-N,6-dimethyl-5-methylidenehepta-3,6-dien-2-imine
CID 89033543
(4Z)-N-methyl-3-propan-2-ylidenehepta-4,6-dien-2-imine
CID 89376422
(3E,6E,8Z)-N,3,4,6,7,8-hexamethyldeca-3,6,8-trien-2-imine
CID 89910615
N-(4-chloro-6-methylidenecyclohexa-2,4-dien-1-ylidene)-N'-methylpropanimidamide
CID 90718255
(3Z)-3-ethylidene-N,4,5,6-tetramethylpyridin-2-imine
CID 117655581
4-buta-1,3-dien-2-yl-5-[(E)-but-2-en-2-yl]-2-[(3E)-penta-1,3-dien-3-yl]-4H-imidazole
CID 118029493
4-buta-1,3-dien-2-yl-2-[(3E)-penta-1,3-dien-3-yl]-5-[(E)-pent-2-en-2-yl]-4H-imidazole
CID 118029501
(3E)-N-ethyl-3-ethylidenehex-4-en-2-imine
CID 123147224
(3Z)-1-N,8-dimethyl-2-N-propylundeca-3,7,9-triene-1,2-diimine
CID 123272046

Frequently Asked Questions

What is the IUPAC name of ethane;N'-methyl-N-[(4Z,8Z)-3,6,7-trimethylideneundeca-4,8,10-trien-2-ylidene]ethanimidamide?
The IUPAC name of ethane;N'-methyl-N-[(4Z,8Z)-3,6,7-trimethylideneundeca-4,8,10-trien-2-ylidene]ethanimidamide (CID 142608345) is ethane;N'-methyl-N-[(4Z,8Z)-3,6,7-trimethylideneundeca-4,8,10-trien-2-ylidene]ethanimidamide.
What is the SMILES notation for ethane;N'-methyl-N-[(4Z,8Z)-3,6,7-trimethylideneundeca-4,8,10-trien-2-ylidene]ethanimidamide?
The canonical SMILES for ethane;N'-methyl-N-[(4Z,8Z)-3,6,7-trimethylideneundeca-4,8,10-trien-2-ylidene]ethanimidamide is C=C/C=C\C(=C)C(=C)/C=C\C(=C)/C(C)=N/C(C)=N/C.CC.
What is the InChIKey of ethane;N'-methyl-N-[(4Z,8Z)-3,6,7-trimethylideneundeca-4,8,10-trien-2-ylidene]ethanimidamide?
The InChIKey is PGDXHINEZCMKTE-VJFAACKYSA-N. The full InChI is InChI=1S/C17H22N2.C2H6/c1-8-9-10-13(2)14(3)11-12-15(4)16(5)19-17(6)18-7;1-2/h8-12H,1-4H2,5-7H3;1-2H3/b10-9-,12-11-,18-17+,19-16+;.
What are the key properties of ethane;N'-methyl-N-[(4Z,8Z)-3,6,7-trimethylideneundeca-4,8,10-trien-2-ylidene]ethanimidamide?
ethane;N'-methyl-N-[(4Z,8Z)-3,6,7-trimethylideneundeca-4,8,10-trien-2-ylidene]ethanimidamide has a molecular weight of 284.45 g/mol, XLogP of 5.49, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-methyl-N-[(4Z,8Z)-3,6,7-trimethylideneundeca-4,8,10-trien-2-ylidene]ethanimidamide is sourced from PubChem (CID 142608345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).