ethane;N'-methyl-N-[(4Z)-2-methyl-5-(methylamino)hexa-1,4-dien-3-ylidene]ethanimidamide

C17H37N3 — CID 172597542

IUPACethane;N'-methyl-N-[(4Z)-2-methyl-5-(methylamino)hexa-1,4-dien-3-ylidene]ethanimidamide
SMILESC=C(C)C(/C=C(/C)NC)=N\C(C)=N\C.CC.CC.CC
InChIInChI=1S/C11H19N3.3C2H6/c1-8(2)11(7-9(3)12-5)14-10(4)13-6;3*1-2/h7,12H,1H2,2-6H3;3*1-2H3/b9-7-,13-10+,14-11-;;;
InChIKeyGGKVYTQTNUDCGI-AZWFXOFESA-N
MW283.50 g/mol
LogP5.25
Rot. Bonds3

About ethane;N'-methyl-N-[(4Z)-2-methyl-5-(methylamino)hexa-1,4-dien-3-ylidene]ethanimidamide

ethane;N'-methyl-N-[(4Z)-2-methyl-5-(methylamino)hexa-1,4-dien-3-ylidene]ethanimidamide (PubChem CID 172597542) has the molecular formula C17H37N3 and a molecular weight of 283.50 g/mol. Its IUPAC name is ethane;N'-methyl-N-[(4Z)-2-methyl-5-(methylamino)hexa-1,4-dien-3-ylidene]ethanimidamide.

Molecular Properties

Compound Nameethane;N'-methyl-N-[(4Z)-2-methyl-5-(methylamino)hexa-1,4-dien-3-ylidene]ethanimidamide
PubChem CID172597542
Molecular FormulaC17H37N3
Molecular Weight283.50 g/mol
Exact Mass283.30
IUPAC Nameethane;N'-methyl-N-[(4Z)-2-methyl-5-(methylamino)hexa-1,4-dien-3-ylidene]ethanimidamide
SMILESC=C(C)C(/C=C(/C)NC)=N\C(C)=N\C.CC.CC.CC
InChIInChI=1S/C11H19N3.3C2H6/c1-8(2)11(7-9(3)12-5)14-10(4)13-6;3*1-2/h7,12H,1H2,2-6H3;3*1-2H3/b9-7-,13-10+,14-11-;;;
InChIKeyGGKVYTQTNUDCGI-AZWFXOFESA-N
XLogP5.25
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.50
LogP ≤ 55.25
H-Bond Donors ≤ 51
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

N-[(Z)-5-amino-2-methylhex-4-en-3-ylidene]-N'-methylethanimidamide;ethane
CID 172597690
N'-methyl-N-[(4Z)-2-methyl-5-(methylamino)hexa-1,4-dien-3-ylidene]ethanimidamide
CID 172597543
N-[(Z)-5-amino-2-methylhex-4-en-3-ylidene]-N'-methylethanimidamide
CID 172597691

Frequently Asked Questions

What is the IUPAC name of ethane;N'-methyl-N-[(4Z)-2-methyl-5-(methylamino)hexa-1,4-dien-3-ylidene]ethanimidamide?
The IUPAC name of ethane;N'-methyl-N-[(4Z)-2-methyl-5-(methylamino)hexa-1,4-dien-3-ylidene]ethanimidamide (CID 172597542) is ethane;N'-methyl-N-[(4Z)-2-methyl-5-(methylamino)hexa-1,4-dien-3-ylidene]ethanimidamide.
What is the SMILES notation for ethane;N'-methyl-N-[(4Z)-2-methyl-5-(methylamino)hexa-1,4-dien-3-ylidene]ethanimidamide?
The canonical SMILES for ethane;N'-methyl-N-[(4Z)-2-methyl-5-(methylamino)hexa-1,4-dien-3-ylidene]ethanimidamide is C=C(C)C(/C=C(/C)NC)=N\C(C)=N\C.CC.CC.CC.
What is the InChIKey of ethane;N'-methyl-N-[(4Z)-2-methyl-5-(methylamino)hexa-1,4-dien-3-ylidene]ethanimidamide?
The InChIKey is GGKVYTQTNUDCGI-AZWFXOFESA-N. The full InChI is InChI=1S/C11H19N3.3C2H6/c1-8(2)11(7-9(3)12-5)14-10(4)13-6;3*1-2/h7,12H,1H2,2-6H3;3*1-2H3/b9-7-,13-10+,14-11-;;;.
What are the key properties of ethane;N'-methyl-N-[(4Z)-2-methyl-5-(methylamino)hexa-1,4-dien-3-ylidene]ethanimidamide?
ethane;N'-methyl-N-[(4Z)-2-methyl-5-(methylamino)hexa-1,4-dien-3-ylidene]ethanimidamide has a molecular weight of 283.50 g/mol, XLogP of 5.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-methyl-N-[(4Z)-2-methyl-5-(methylamino)hexa-1,4-dien-3-ylidene]ethanimidamide is sourced from PubChem (CID 172597542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).