hept-6-ynimidamide

C7H12N2 — CID 13205709

IUPAChept-6-ynimidamide
SMILES[H]/N=C(\N)CCCCC#C
InChIInChI=1S/C7H12N2/c1-2-3-4-5-6-7(8)9/h1H,3-6H2,(H3,8,9)
InChIKeyIDAPIMSTVMAMHW-UHFFFAOYSA-N
MW124.19 g/mol
LogP1.12
Rot. Bonds4

About hept-6-ynimidamide

hept-6-ynimidamide (PubChem CID 13205709) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is hept-6-ynimidamide.

Molecular Properties

Compound Namehept-6-ynimidamide
PubChem CID13205709
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Namehept-6-ynimidamide
SMILES[H]/N=C(\N)CCCCC#C
InChIInChI=1S/C7H12N2/c1-2-3-4-5-6-7(8)9/h1H,3-6H2,(H3,8,9)
InChIKeyIDAPIMSTVMAMHW-UHFFFAOYSA-N
XLogP1.12
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 ≤ 51.12
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': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hept-6-ynimidamide?
The IUPAC name of hept-6-ynimidamide (CID 13205709) is hept-6-ynimidamide.
What is the SMILES notation for hept-6-ynimidamide?
The canonical SMILES for hept-6-ynimidamide is [H]/N=C(\N)CCCCC#C.
What is the InChIKey of hept-6-ynimidamide?
The InChIKey is IDAPIMSTVMAMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-2-3-4-5-6-7(8)9/h1H,3-6H2,(H3,8,9).
What are the key properties of hept-6-ynimidamide?
hept-6-ynimidamide has a molecular weight of 124.19 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hept-6-ynimidamide is sourced from PubChem (CID 13205709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).