2-[2-(diaminomethylideneamino)ethyl-ethylamino]propanimidamide

C8H20N6 — CID 22966778

IUPAC2-[2-(diaminomethylideneamino)ethyl-ethylamino]propanimidamide
SMILES[H]/N=C(\N)C(C)N(CC)CCN=C(N)N
InChIInChI=1S/C8H20N6/c1-3-14(6(2)7(9)10)5-4-13-8(11)12/h6H,3-5H2,1-2H3,(H3,9,10)(H4,11,12,13)
InChIKeyCMNLXIGNCVPPME-UHFFFAOYSA-N
MW200.29 g/mol
LogP-1.09
Rot. Bonds6

About 2-[2-(diaminomethylideneamino)ethyl-ethylamino]propanimidamide

2-[2-(diaminomethylideneamino)ethyl-ethylamino]propanimidamide (PubChem CID 22966778) has the molecular formula C8H20N6 and a molecular weight of 200.29 g/mol. Its IUPAC name is 2-[2-(diaminomethylideneamino)ethyl-ethylamino]propanimidamide.

Molecular Properties

Compound Name2-[2-(diaminomethylideneamino)ethyl-ethylamino]propanimidamide
PubChem CID22966778
Molecular FormulaC8H20N6
Molecular Weight200.29 g/mol
Exact Mass200.17
IUPAC Name2-[2-(diaminomethylideneamino)ethyl-ethylamino]propanimidamide
SMILES[H]/N=C(\N)C(C)N(CC)CCN=C(N)N
InChIInChI=1S/C8H20N6/c1-3-14(6(2)7(9)10)5-4-13-8(11)12/h6H,3-5H2,1-2H3,(H3,9,10)(H4,11,12,13)
InChIKeyCMNLXIGNCVPPME-UHFFFAOYSA-N
XLogP-1.09
TPSA117.51 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 5-1.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[2-(diaminomethylideneamino)ethyl-ethylamino]propanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diaminomethylideneamino)ethyl-ethylamino]propanimidamide?
The IUPAC name of 2-[2-(diaminomethylideneamino)ethyl-ethylamino]propanimidamide (CID 22966778) is 2-[2-(diaminomethylideneamino)ethyl-ethylamino]propanimidamide.
What is the SMILES notation for 2-[2-(diaminomethylideneamino)ethyl-ethylamino]propanimidamide?
The canonical SMILES for 2-[2-(diaminomethylideneamino)ethyl-ethylamino]propanimidamide is [H]/N=C(\N)C(C)N(CC)CCN=C(N)N.
What is the InChIKey of 2-[2-(diaminomethylideneamino)ethyl-ethylamino]propanimidamide?
The InChIKey is CMNLXIGNCVPPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N6/c1-3-14(6(2)7(9)10)5-4-13-8(11)12/h6H,3-5H2,1-2H3,(H3,9,10)(H4,11,12,13).
What are the key properties of 2-[2-(diaminomethylideneamino)ethyl-ethylamino]propanimidamide?
2-[2-(diaminomethylideneamino)ethyl-ethylamino]propanimidamide has a molecular weight of 200.29 g/mol, XLogP of -1.09, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diaminomethylideneamino)ethyl-ethylamino]propanimidamide is sourced from PubChem (CID 22966778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).