hept-4-enimidamide

C7H14N2 — CID 175223434

IUPAChept-4-enimidamide
SMILES[H]/N=C(/N)CCC=CCC
InChIInChI=1S/C7H14N2/c1-2-3-4-5-6-7(8)9/h3-4H,2,5-6H2,1H3,(H3,8,9)
InChIKeyFHSCPDSYGCTTOJ-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.67
Rot. Bonds4

About hept-4-enimidamide

hept-4-enimidamide (PubChem CID 175223434) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is hept-4-enimidamide.

Molecular Properties

Compound Namehept-4-enimidamide
PubChem CID175223434
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Namehept-4-enimidamide
SMILES[H]/N=C(/N)CCC=CCC
InChIInChI=1S/C7H14N2/c1-2-3-4-5-6-7(8)9/h3-4H,2,5-6H2,1H3,(H3,8,9)
InChIKeyFHSCPDSYGCTTOJ-UHFFFAOYSA-N
XLogP1.67
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.67
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hept-4-enimidamide?
The IUPAC name of hept-4-enimidamide (CID 175223434) is hept-4-enimidamide.
What is the SMILES notation for hept-4-enimidamide?
The canonical SMILES for hept-4-enimidamide is [H]/N=C(/N)CCC=CCC.
What is the InChIKey of hept-4-enimidamide?
The InChIKey is FHSCPDSYGCTTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-2-3-4-5-6-7(8)9/h3-4H,2,5-6H2,1H3,(H3,8,9).
What are the key properties of hept-4-enimidamide?
hept-4-enimidamide has a molecular weight of 126.20 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hept-4-enimidamide is sourced from PubChem (CID 175223434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).