ethane;N'-methyl-N-(4-methylpenta-1,3-dien-3-yl)ethanimidamide

C11H22N2 — CID 164589415

IUPACethane;N'-methyl-N-(4-methylpenta-1,3-dien-3-yl)ethanimidamide
SMILESC=CC(N/C(C)=N/C)=C(C)C.CC
InChIInChI=1S/C9H16N2.C2H6/c1-6-9(7(2)3)11-8(4)10-5;1-2/h6H,1H2,2-5H3,(H,10,11);1-2H3
InChIKeyVEUAUZKQTLRIIU-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.13
Rot. Bonds2

About ethane;N'-methyl-N-(4-methylpenta-1,3-dien-3-yl)ethanimidamide

ethane;N'-methyl-N-(4-methylpenta-1,3-dien-3-yl)ethanimidamide (PubChem CID 164589415) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is ethane;N'-methyl-N-(4-methylpenta-1,3-dien-3-yl)ethanimidamide.

Molecular Properties

Compound Nameethane;N'-methyl-N-(4-methylpenta-1,3-dien-3-yl)ethanimidamide
PubChem CID164589415
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Nameethane;N'-methyl-N-(4-methylpenta-1,3-dien-3-yl)ethanimidamide
SMILESC=CC(N/C(C)=N/C)=C(C)C.CC
InChIInChI=1S/C9H16N2.C2H6/c1-6-9(7(2)3)11-8(4)10-5;1-2/h6H,1H2,2-5H3,(H,10,11);1-2H3
InChIKeyVEUAUZKQTLRIIU-UHFFFAOYSA-N
XLogP3.13
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.13
H-Bond Donors ≤ 51
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

N'-[(E)-but-2-enyl]-N-[(2E,4Z)-4-fluorohexa-2,4-dien-2-yl]ethanimidamide
CID 126707495
ethene;2,2,2-trifluoro-N'-methyl-N-(4-methylpenta-1,3-dien-3-yl)ethanimidamide
CID 177168209
2,2,2-trifluoro-N'-methyl-N-(4-methylpenta-1,3-dien-3-yl)ethanimidamide
CID 177168210
(5Z,7Z)-2-methyl-9-methylidene-1,4-dihydro-1,3-diazonine
CID 68220253
N'-ethyl-N-[(3Z)-hexa-1,3,5-trien-2-yl]ethanimidamide
CID 121279957
N-(3-methylbut-2-en-2-yl)-N'-propylethanimidamide
CID 123451617
N-but-2-en-2-yl-N'-(3-methylbut-2-en-2-yl)ethanimidamide
CID 123668013
(7Z)-2-methyl-9-methylidene-1,4-dihydro-1,3-diazonine
CID 123778633
N'-methyl-N-[(2Z)-penta-2,4-dien-2-yl]ethanimidamide
CID 126636618
2-methyl-4,9-dimethylidene-1H-1,3-diazonine
CID 129060640
(Z)-N'-methyl-4-methylidene-N-prop-1-en-2-ylhex-2-enimidamide
CID 132125351
N'-ethyl-N-[(2Z,4E)-hexa-2,4-dien-2-yl]ethanimidamide
CID 134376358

Frequently Asked Questions

What is the IUPAC name of ethane;N'-methyl-N-(4-methylpenta-1,3-dien-3-yl)ethanimidamide?
The IUPAC name of ethane;N'-methyl-N-(4-methylpenta-1,3-dien-3-yl)ethanimidamide (CID 164589415) is ethane;N'-methyl-N-(4-methylpenta-1,3-dien-3-yl)ethanimidamide.
What is the SMILES notation for ethane;N'-methyl-N-(4-methylpenta-1,3-dien-3-yl)ethanimidamide?
The canonical SMILES for ethane;N'-methyl-N-(4-methylpenta-1,3-dien-3-yl)ethanimidamide is C=CC(N/C(C)=N/C)=C(C)C.CC.
What is the InChIKey of ethane;N'-methyl-N-(4-methylpenta-1,3-dien-3-yl)ethanimidamide?
The InChIKey is VEUAUZKQTLRIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2.C2H6/c1-6-9(7(2)3)11-8(4)10-5;1-2/h6H,1H2,2-5H3,(H,10,11);1-2H3.
What are the key properties of ethane;N'-methyl-N-(4-methylpenta-1,3-dien-3-yl)ethanimidamide?
ethane;N'-methyl-N-(4-methylpenta-1,3-dien-3-yl)ethanimidamide has a molecular weight of 182.31 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-methyl-N-(4-methylpenta-1,3-dien-3-yl)ethanimidamide is sourced from PubChem (CID 164589415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).