(2Z,4Z)-3,4-dimethylhexa-2,4-dienimidamide

C8H14N2 — CID 155349752

IUPAC(2Z,4Z)-3,4-dimethylhexa-2,4-dienimidamide
SMILES[H]/N=C(N)/C=C(C)\C(C)=C/C
InChIInChI=1S/C8H14N2/c1-4-6(2)7(3)5-8(9)10/h4-5H,1-3H3,(H3,9,10)/b6-4-,7-5-
InChIKeyMZNORXKHNAYYCL-PEPZGXQESA-N
MW138.21 g/mol
LogP1.83
Rot. Bonds2

About (2Z,4Z)-3,4-dimethylhexa-2,4-dienimidamide

(2Z,4Z)-3,4-dimethylhexa-2,4-dienimidamide (PubChem CID 155349752) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is (2Z,4Z)-3,4-dimethylhexa-2,4-dienimidamide.

Molecular Properties

Compound Name(2Z,4Z)-3,4-dimethylhexa-2,4-dienimidamide
PubChem CID155349752
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name(2Z,4Z)-3,4-dimethylhexa-2,4-dienimidamide
SMILES[H]/N=C(N)/C=C(C)\C(C)=C/C
InChIInChI=1S/C8H14N2/c1-4-6(2)7(3)5-8(9)10/h4-5H,1-3H3,(H3,9,10)/b6-4-,7-5-
InChIKeyMZNORXKHNAYYCL-PEPZGXQESA-N
XLogP1.83
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.83
H-Bond Donors ≤ 52
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)-3,4-dimethylhexa-2,4-dienimidamide?
The IUPAC name of (2Z,4Z)-3,4-dimethylhexa-2,4-dienimidamide (CID 155349752) is (2Z,4Z)-3,4-dimethylhexa-2,4-dienimidamide.
What is the SMILES notation for (2Z,4Z)-3,4-dimethylhexa-2,4-dienimidamide?
The canonical SMILES for (2Z,4Z)-3,4-dimethylhexa-2,4-dienimidamide is [H]/N=C(N)/C=C(C)\C(C)=C/C.
What is the InChIKey of (2Z,4Z)-3,4-dimethylhexa-2,4-dienimidamide?
The InChIKey is MZNORXKHNAYYCL-PEPZGXQESA-N. The full InChI is InChI=1S/C8H14N2/c1-4-6(2)7(3)5-8(9)10/h4-5H,1-3H3,(H3,9,10)/b6-4-,7-5-.
What are the key properties of (2Z,4Z)-3,4-dimethylhexa-2,4-dienimidamide?
(2Z,4Z)-3,4-dimethylhexa-2,4-dienimidamide has a molecular weight of 138.21 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-3,4-dimethylhexa-2,4-dienimidamide is sourced from PubChem (CID 155349752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).