(2E)-hepta-2,6-dienimidamide

C7H12N2 — CID 134446156

IUPAC(2E)-hepta-2,6-dienimidamide
SMILES[H]/N=C(N)/C=C/CCC=C
InChIInChI=1S/C7H12N2/c1-2-3-4-5-6-7(8)9/h2,5-6H,1,3-4H2,(H3,8,9)/b6-5+
InChIKeyFSSUBGGBQURBOH-AATRIKPKSA-N
MW124.19 g/mol
LogP1.44
Rot. Bonds4

About (2E)-hepta-2,6-dienimidamide

(2E)-hepta-2,6-dienimidamide (PubChem CID 134446156) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is (2E)-hepta-2,6-dienimidamide.

Molecular Properties

Compound Name(2E)-hepta-2,6-dienimidamide
PubChem CID134446156
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name(2E)-hepta-2,6-dienimidamide
SMILES[H]/N=C(N)/C=C/CCC=C
InChIInChI=1S/C7H12N2/c1-2-3-4-5-6-7(8)9/h2,5-6H,1,3-4H2,(H3,8,9)/b6-5+
InChIKeyFSSUBGGBQURBOH-AATRIKPKSA-N
XLogP1.44
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 96869220
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CID 118219398
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CID 123372662
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CID 123661691
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CID 142083405
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CID 142337046
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Frequently Asked Questions

What is the IUPAC name of (2E)-hepta-2,6-dienimidamide?
The IUPAC name of (2E)-hepta-2,6-dienimidamide (CID 134446156) is (2E)-hepta-2,6-dienimidamide.
What is the SMILES notation for (2E)-hepta-2,6-dienimidamide?
The canonical SMILES for (2E)-hepta-2,6-dienimidamide is [H]/N=C(N)/C=C/CCC=C.
What is the InChIKey of (2E)-hepta-2,6-dienimidamide?
The InChIKey is FSSUBGGBQURBOH-AATRIKPKSA-N. The full InChI is InChI=1S/C7H12N2/c1-2-3-4-5-6-7(8)9/h2,5-6H,1,3-4H2,(H3,8,9)/b6-5+.
What are the key properties of (2E)-hepta-2,6-dienimidamide?
(2E)-hepta-2,6-dienimidamide has a molecular weight of 124.19 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-hepta-2,6-dienimidamide is sourced from PubChem (CID 134446156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).