(2Z,4Z)-5-methyl-N'-propan-2-ylhepta-2,4-dienimidamide

C11H20N2 — CID 130224282

IUPAC(2Z,4Z)-5-methyl-N'-propan-2-ylhepta-2,4-dienimidamide
SMILESCC/C(C)=C\C=C/C(N)=N/C(C)C
InChIInChI=1S/C11H20N2/c1-5-10(4)7-6-8-11(12)13-9(2)3/h6-9H,5H2,1-4H3,(H2,12,13)/b8-6-,10-7-
InChIKeyIERMMEMWSKPBNI-YOYBIJIWSA-N
MW180.29 g/mol
LogP2.66
Rot. Bonds4

About (2Z,4Z)-5-methyl-N'-propan-2-ylhepta-2,4-dienimidamide

(2Z,4Z)-5-methyl-N'-propan-2-ylhepta-2,4-dienimidamide (PubChem CID 130224282) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is (2Z,4Z)-5-methyl-N'-propan-2-ylhepta-2,4-dienimidamide.

Molecular Properties

Compound Name(2Z,4Z)-5-methyl-N'-propan-2-ylhepta-2,4-dienimidamide
PubChem CID130224282
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name(2Z,4Z)-5-methyl-N'-propan-2-ylhepta-2,4-dienimidamide
SMILESCC/C(C)=C\C=C/C(N)=N/C(C)C
InChIInChI=1S/C11H20N2/c1-5-10(4)7-6-8-11(12)13-9(2)3/h6-9H,5H2,1-4H3,(H2,12,13)/b8-6-,10-7-
InChIKeyIERMMEMWSKPBNI-YOYBIJIWSA-N
XLogP2.66
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.66
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 (2Z,4Z)-5-methyl-N'-propan-2-ylhepta-2,4-dienimidamide?
The IUPAC name of (2Z,4Z)-5-methyl-N'-propan-2-ylhepta-2,4-dienimidamide (CID 130224282) is (2Z,4Z)-5-methyl-N'-propan-2-ylhepta-2,4-dienimidamide.
What is the SMILES notation for (2Z,4Z)-5-methyl-N'-propan-2-ylhepta-2,4-dienimidamide?
The canonical SMILES for (2Z,4Z)-5-methyl-N'-propan-2-ylhepta-2,4-dienimidamide is CC/C(C)=C\C=C/C(N)=N/C(C)C.
What is the InChIKey of (2Z,4Z)-5-methyl-N'-propan-2-ylhepta-2,4-dienimidamide?
The InChIKey is IERMMEMWSKPBNI-YOYBIJIWSA-N. The full InChI is InChI=1S/C11H20N2/c1-5-10(4)7-6-8-11(12)13-9(2)3/h6-9H,5H2,1-4H3,(H2,12,13)/b8-6-,10-7-.
What are the key properties of (2Z,4Z)-5-methyl-N'-propan-2-ylhepta-2,4-dienimidamide?
(2Z,4Z)-5-methyl-N'-propan-2-ylhepta-2,4-dienimidamide has a molecular weight of 180.29 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-5-methyl-N'-propan-2-ylhepta-2,4-dienimidamide is sourced from PubChem (CID 130224282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).