ethane;(1Z)-2-(N-ethyl-C-methylcarbonimidoyl)-3-methylidenepenta-1,4-dien-1-amine

C12H22N2 — CID 169243260

IUPACethane;(1Z)-2-(N-ethyl-C-methylcarbonimidoyl)-3-methylidenepenta-1,4-dien-1-amine
SMILESC=CC(=C)C(=C/N)/C(C)=N/CC.CC
InChIInChI=1S/C10H16N2.C2H6/c1-5-8(3)10(7-11)9(4)12-6-2;1-2/h5,7H,1,3,6,11H2,2,4H3;1-2H3/b10-7-,12-9+;
InChIKeyZSKZBNDVGFRBOB-DNWZYKSVSA-N
MW194.32 g/mol
LogP3.08
Rot. Bonds4

About ethane;(1Z)-2-(N-ethyl-C-methylcarbonimidoyl)-3-methylidenepenta-1,4-dien-1-amine

ethane;(1Z)-2-(N-ethyl-C-methylcarbonimidoyl)-3-methylidenepenta-1,4-dien-1-amine (PubChem CID 169243260) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is ethane;(1Z)-2-(N-ethyl-C-methylcarbonimidoyl)-3-methylidenepenta-1,4-dien-1-amine.

Molecular Properties

Compound Nameethane;(1Z)-2-(N-ethyl-C-methylcarbonimidoyl)-3-methylidenepenta-1,4-dien-1-amine
PubChem CID169243260
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Nameethane;(1Z)-2-(N-ethyl-C-methylcarbonimidoyl)-3-methylidenepenta-1,4-dien-1-amine
SMILESC=CC(=C)C(=C/N)/C(C)=N/CC.CC
InChIInChI=1S/C10H16N2.C2H6/c1-5-8(3)10(7-11)9(4)12-6-2;1-2/h5,7H,1,3,6,11H2,2,4H3;1-2H3/b10-7-,12-9+;
InChIKeyZSKZBNDVGFRBOB-DNWZYKSVSA-N
XLogP3.08
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;(1Z)-2-(N-ethyl-C-methylcarbonimidoyl)-3-methylidenepenta-1,4-dien-1-amine?
The IUPAC name of ethane;(1Z)-2-(N-ethyl-C-methylcarbonimidoyl)-3-methylidenepenta-1,4-dien-1-amine (CID 169243260) is ethane;(1Z)-2-(N-ethyl-C-methylcarbonimidoyl)-3-methylidenepenta-1,4-dien-1-amine.
What is the SMILES notation for ethane;(1Z)-2-(N-ethyl-C-methylcarbonimidoyl)-3-methylidenepenta-1,4-dien-1-amine?
The canonical SMILES for ethane;(1Z)-2-(N-ethyl-C-methylcarbonimidoyl)-3-methylidenepenta-1,4-dien-1-amine is C=CC(=C)C(=C/N)/C(C)=N/CC.CC.
What is the InChIKey of ethane;(1Z)-2-(N-ethyl-C-methylcarbonimidoyl)-3-methylidenepenta-1,4-dien-1-amine?
The InChIKey is ZSKZBNDVGFRBOB-DNWZYKSVSA-N. The full InChI is InChI=1S/C10H16N2.C2H6/c1-5-8(3)10(7-11)9(4)12-6-2;1-2/h5,7H,1,3,6,11H2,2,4H3;1-2H3/b10-7-,12-9+;.
What are the key properties of ethane;(1Z)-2-(N-ethyl-C-methylcarbonimidoyl)-3-methylidenepenta-1,4-dien-1-amine?
ethane;(1Z)-2-(N-ethyl-C-methylcarbonimidoyl)-3-methylidenepenta-1,4-dien-1-amine has a molecular weight of 194.32 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(1Z)-2-(N-ethyl-C-methylcarbonimidoyl)-3-methylidenepenta-1,4-dien-1-amine is sourced from PubChem (CID 169243260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).