(E)-4-aminohex-2-enimidamide

C6H13N3 — CID 123372662

IUPAC(E)-4-aminohex-2-enimidamide
SMILES[H]/N=C(N)/C=C/C(N)CC
InChIInChI=1S/C6H13N3/c1-2-5(7)3-4-6(8)9/h3-5H,2,7H2,1H3,(H3,8,9)/b4-3+
InChIKeyXGURBIIJZPBZIB-ONEGZZNKSA-N
MW127.19 g/mol
LogP0.22
Rot. Bonds3

About (E)-4-aminohex-2-enimidamide

(E)-4-aminohex-2-enimidamide (PubChem CID 123372662) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is (E)-4-aminohex-2-enimidamide.

Molecular Properties

Compound Name(E)-4-aminohex-2-enimidamide
PubChem CID123372662
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC Name(E)-4-aminohex-2-enimidamide
SMILES[H]/N=C(N)/C=C/C(N)CC
InChIInChI=1S/C6H13N3/c1-2-5(7)3-4-6(8)9/h3-5H,2,7H2,1H3,(H3,8,9)/b4-3+
InChIKeyXGURBIIJZPBZIB-ONEGZZNKSA-N
XLogP0.22
TPSA75.89 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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)-4-aminohex-2-enimidamide?
The IUPAC name of (E)-4-aminohex-2-enimidamide (CID 123372662) is (E)-4-aminohex-2-enimidamide.
What is the SMILES notation for (E)-4-aminohex-2-enimidamide?
The canonical SMILES for (E)-4-aminohex-2-enimidamide is [H]/N=C(N)/C=C/C(N)CC.
What is the InChIKey of (E)-4-aminohex-2-enimidamide?
The InChIKey is XGURBIIJZPBZIB-ONEGZZNKSA-N. The full InChI is InChI=1S/C6H13N3/c1-2-5(7)3-4-6(8)9/h3-5H,2,7H2,1H3,(H3,8,9)/b4-3+.
What are the key properties of (E)-4-aminohex-2-enimidamide?
(E)-4-aminohex-2-enimidamide has a molecular weight of 127.19 g/mol, XLogP of 0.22, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-aminohex-2-enimidamide is sourced from PubChem (CID 123372662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).