N'-methyl-N-[(3E,5Z)-3-methylocta-3,5,7-trien-4-yl]ethanimidamide

C12H20N2 — CID 154932170

IUPACN'-methyl-N-[(3E,5Z)-3-methylocta-3,5,7-trien-4-yl]ethanimidamide
SMILESC=C/C=C\C(N/C(C)=N/C)=C(\C)CC
InChIInChI=1S/C12H20N2/c1-6-8-9-12(10(3)7-2)14-11(4)13-5/h6,8-9H,1,7H2,2-5H3,(H,13,14)/b9-8-,12-10+
InChIKeyZQCTVNKXDSAQJE-LVQHWDRTSA-N
MW192.31 g/mol
LogP3.05
Rot. Bonds4

About N'-methyl-N-[(3E,5Z)-3-methylocta-3,5,7-trien-4-yl]ethanimidamide

N'-methyl-N-[(3E,5Z)-3-methylocta-3,5,7-trien-4-yl]ethanimidamide (PubChem CID 154932170) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is N'-methyl-N-[(3E,5Z)-3-methylocta-3,5,7-trien-4-yl]ethanimidamide.

Molecular Properties

Compound NameN'-methyl-N-[(3E,5Z)-3-methylocta-3,5,7-trien-4-yl]ethanimidamide
PubChem CID154932170
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC NameN'-methyl-N-[(3E,5Z)-3-methylocta-3,5,7-trien-4-yl]ethanimidamide
SMILESC=C/C=C\C(N/C(C)=N/C)=C(\C)CC
InChIInChI=1S/C12H20N2/c1-6-8-9-12(10(3)7-2)14-11(4)13-5/h6,8-9H,1,7H2,2-5H3,(H,13,14)/b9-8-,12-10+
InChIKeyZQCTVNKXDSAQJE-LVQHWDRTSA-N
XLogP3.05
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 53.05
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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Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[(3E,5Z)-3-methylocta-3,5,7-trien-4-yl]ethanimidamide?
The IUPAC name of N'-methyl-N-[(3E,5Z)-3-methylocta-3,5,7-trien-4-yl]ethanimidamide (CID 154932170) is N'-methyl-N-[(3E,5Z)-3-methylocta-3,5,7-trien-4-yl]ethanimidamide.
What is the SMILES notation for N'-methyl-N-[(3E,5Z)-3-methylocta-3,5,7-trien-4-yl]ethanimidamide?
The canonical SMILES for N'-methyl-N-[(3E,5Z)-3-methylocta-3,5,7-trien-4-yl]ethanimidamide is C=C/C=C\C(N/C(C)=N/C)=C(\C)CC.
What is the InChIKey of N'-methyl-N-[(3E,5Z)-3-methylocta-3,5,7-trien-4-yl]ethanimidamide?
The InChIKey is ZQCTVNKXDSAQJE-LVQHWDRTSA-N. The full InChI is InChI=1S/C12H20N2/c1-6-8-9-12(10(3)7-2)14-11(4)13-5/h6,8-9H,1,7H2,2-5H3,(H,13,14)/b9-8-,12-10+.
What are the key properties of N'-methyl-N-[(3E,5Z)-3-methylocta-3,5,7-trien-4-yl]ethanimidamide?
N'-methyl-N-[(3E,5Z)-3-methylocta-3,5,7-trien-4-yl]ethanimidamide has a molecular weight of 192.31 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[(3E,5Z)-3-methylocta-3,5,7-trien-4-yl]ethanimidamide is sourced from PubChem (CID 154932170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).