(E)-N'-(1-aminoethyl)-N-(1-aminoethylidene)pent-2-enimidamide

C9H18N4 — CID 123439490

IUPAC(E)-N'-(1-aminoethyl)-N-(1-aminoethylidene)pent-2-enimidamide
SMILESCC/C=C/C(=NC(C)N)/N=C(\C)N
InChIInChI=1S/C9H18N4/c1-4-5-6-9(12-7(2)10)13-8(3)11/h5-7H,4,10H2,1-3H3,(H2,11,12,13)/b6-5+
InChIKeyPEKTZXDQGDHDFU-AATRIKPKSA-N
MW182.27 g/mol
LogP1.03
Rot. Bonds3

About (E)-N'-(1-aminoethyl)-N-(1-aminoethylidene)pent-2-enimidamide

(E)-N'-(1-aminoethyl)-N-(1-aminoethylidene)pent-2-enimidamide (PubChem CID 123439490) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is (E)-N'-(1-aminoethyl)-N-(1-aminoethylidene)pent-2-enimidamide.

Molecular Properties

Compound Name(E)-N'-(1-aminoethyl)-N-(1-aminoethylidene)pent-2-enimidamide
PubChem CID123439490
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC Name(E)-N'-(1-aminoethyl)-N-(1-aminoethylidene)pent-2-enimidamide
SMILESCC/C=C/C(=NC(C)N)/N=C(\C)N
InChIInChI=1S/C9H18N4/c1-4-5-6-9(12-7(2)10)13-8(3)11/h5-7H,4,10H2,1-3H3,(H2,11,12,13)/b6-5+
InChIKeyPEKTZXDQGDHDFU-AATRIKPKSA-N
XLogP1.03
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.03
H-Bond Donors ≤ 52
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)-N'-(1-aminoethyl)-N-(1-aminoethylidene)pent-2-enimidamide?
The IUPAC name of (E)-N'-(1-aminoethyl)-N-(1-aminoethylidene)pent-2-enimidamide (CID 123439490) is (E)-N'-(1-aminoethyl)-N-(1-aminoethylidene)pent-2-enimidamide.
What is the SMILES notation for (E)-N'-(1-aminoethyl)-N-(1-aminoethylidene)pent-2-enimidamide?
The canonical SMILES for (E)-N'-(1-aminoethyl)-N-(1-aminoethylidene)pent-2-enimidamide is CC/C=C/C(=NC(C)N)/N=C(\C)N.
What is the InChIKey of (E)-N'-(1-aminoethyl)-N-(1-aminoethylidene)pent-2-enimidamide?
The InChIKey is PEKTZXDQGDHDFU-AATRIKPKSA-N. The full InChI is InChI=1S/C9H18N4/c1-4-5-6-9(12-7(2)10)13-8(3)11/h5-7H,4,10H2,1-3H3,(H2,11,12,13)/b6-5+.
What are the key properties of (E)-N'-(1-aminoethyl)-N-(1-aminoethylidene)pent-2-enimidamide?
(E)-N'-(1-aminoethyl)-N-(1-aminoethylidene)pent-2-enimidamide has a molecular weight of 182.27 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-(1-aminoethyl)-N-(1-aminoethylidene)pent-2-enimidamide is sourced from PubChem (CID 123439490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).