(E)-5-(ethylideneamino)pent-2-enimidamide

C7H13N3 — CID 129045227

IUPAC(E)-5-(ethylideneamino)pent-2-enimidamide
SMILES[H]/N=C(N)/C=C/CC/N=C/C
InChIInChI=1S/C7H13N3/c1-2-10-6-4-3-5-7(8)9/h2-3,5H,4,6H2,1H3,(H3,8,9)/b5-3+,10-2+
InChIKeyBGLNDVLWQAMHIL-JMUOTVIQSA-N
MW139.20 g/mol
LogP0.96
Rot. Bonds4

About (E)-5-(ethylideneamino)pent-2-enimidamide

(E)-5-(ethylideneamino)pent-2-enimidamide (PubChem CID 129045227) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is (E)-5-(ethylideneamino)pent-2-enimidamide.

Molecular Properties

Compound Name(E)-5-(ethylideneamino)pent-2-enimidamide
PubChem CID129045227
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name(E)-5-(ethylideneamino)pent-2-enimidamide
SMILES[H]/N=C(N)/C=C/CC/N=C/C
InChIInChI=1S/C7H13N3/c1-2-10-6-4-3-5-7(8)9/h2-3,5H,4,6H2,1H3,(H3,8,9)/b5-3+,10-2+
InChIKeyBGLNDVLWQAMHIL-JMUOTVIQSA-N
XLogP0.96
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}

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Frequently Asked Questions

What is the IUPAC name of (E)-5-(ethylideneamino)pent-2-enimidamide?
The IUPAC name of (E)-5-(ethylideneamino)pent-2-enimidamide (CID 129045227) is (E)-5-(ethylideneamino)pent-2-enimidamide.
What is the SMILES notation for (E)-5-(ethylideneamino)pent-2-enimidamide?
The canonical SMILES for (E)-5-(ethylideneamino)pent-2-enimidamide is [H]/N=C(N)/C=C/CC/N=C/C.
What is the InChIKey of (E)-5-(ethylideneamino)pent-2-enimidamide?
The InChIKey is BGLNDVLWQAMHIL-JMUOTVIQSA-N. The full InChI is InChI=1S/C7H13N3/c1-2-10-6-4-3-5-7(8)9/h2-3,5H,4,6H2,1H3,(H3,8,9)/b5-3+,10-2+.
What are the key properties of (E)-5-(ethylideneamino)pent-2-enimidamide?
(E)-5-(ethylideneamino)pent-2-enimidamide has a molecular weight of 139.20 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(ethylideneamino)pent-2-enimidamide is sourced from PubChem (CID 129045227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).