N'-[2-[2-(dimethylamino)ethylamino]ethyl]ethanimidamide

C8H20N4 — CID 91161489

IUPACN'-[2-[2-(dimethylamino)ethylamino]ethyl]ethanimidamide
SMILESC/C(N)=N\CCNCCN(C)C
InChIInChI=1S/C8H20N4/c1-8(9)11-5-4-10-6-7-12(2)3/h10H,4-7H2,1-3H3,(H2,9,11)
InChIKeyVUQONDOBHOOMOB-UHFFFAOYSA-N
MW172.28 g/mol
LogP-0.49
Rot. Bonds6

About N'-[2-[2-(dimethylamino)ethylamino]ethyl]ethanimidamide

N'-[2-[2-(dimethylamino)ethylamino]ethyl]ethanimidamide (PubChem CID 91161489) has the molecular formula C8H20N4 and a molecular weight of 172.28 g/mol. Its IUPAC name is N'-[2-[2-(dimethylamino)ethylamino]ethyl]ethanimidamide.

Molecular Properties

Compound NameN'-[2-[2-(dimethylamino)ethylamino]ethyl]ethanimidamide
PubChem CID91161489
Molecular FormulaC8H20N4
Molecular Weight172.28 g/mol
Exact Mass172.17
IUPAC NameN'-[2-[2-(dimethylamino)ethylamino]ethyl]ethanimidamide
SMILESC/C(N)=N\CCNCCN(C)C
InChIInChI=1S/C8H20N4/c1-8(9)11-5-4-10-6-7-12(2)3/h10H,4-7H2,1-3H3,(H2,9,11)
InChIKeyVUQONDOBHOOMOB-UHFFFAOYSA-N
XLogP-0.49
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.28
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 N'-[2-[2-(dimethylamino)ethylamino]ethyl]ethanimidamide?
The IUPAC name of N'-[2-[2-(dimethylamino)ethylamino]ethyl]ethanimidamide (CID 91161489) is N'-[2-[2-(dimethylamino)ethylamino]ethyl]ethanimidamide.
What is the SMILES notation for N'-[2-[2-(dimethylamino)ethylamino]ethyl]ethanimidamide?
The canonical SMILES for N'-[2-[2-(dimethylamino)ethylamino]ethyl]ethanimidamide is C/C(N)=N\CCNCCN(C)C.
What is the InChIKey of N'-[2-[2-(dimethylamino)ethylamino]ethyl]ethanimidamide?
The InChIKey is VUQONDOBHOOMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N4/c1-8(9)11-5-4-10-6-7-12(2)3/h10H,4-7H2,1-3H3,(H2,9,11).
What are the key properties of N'-[2-[2-(dimethylamino)ethylamino]ethyl]ethanimidamide?
N'-[2-[2-(dimethylamino)ethylamino]ethyl]ethanimidamide has a molecular weight of 172.28 g/mol, XLogP of -0.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[2-(dimethylamino)ethylamino]ethyl]ethanimidamide is sourced from PubChem (CID 91161489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).