N-ethylidene-N'-(ethyliminomethyl)methanimidamide

C6H11N3 — CID 143476809

IUPACN-ethylidene-N'-(ethyliminomethyl)methanimidamide
SMILESC/C=N/C=N/C=N/CC
InChIInChI=1S/C6H11N3/c1-3-7-5-9-6-8-4-2/h3,5-6H,4H2,1-2H3/b7-3+,8-6+,9-5+
InChIKeyMVLIBNUYYUMIMF-SRUHKMNSSA-N
MW125.17 g/mol
LogP1.15
Rot. Bonds3

About N-ethylidene-N'-(ethyliminomethyl)methanimidamide

N-ethylidene-N'-(ethyliminomethyl)methanimidamide (PubChem CID 143476809) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is N-ethylidene-N'-(ethyliminomethyl)methanimidamide.

Molecular Properties

Compound NameN-ethylidene-N'-(ethyliminomethyl)methanimidamide
PubChem CID143476809
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC NameN-ethylidene-N'-(ethyliminomethyl)methanimidamide
SMILESC/C=N/C=N/C=N/CC
InChIInChI=1S/C6H11N3/c1-3-7-5-9-6-8-4-2/h3,5-6H,4H2,1-2H3/b7-3+,8-6+,9-5+
InChIKeyMVLIBNUYYUMIMF-SRUHKMNSSA-N
XLogP1.15
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 N-ethylidene-N'-(ethyliminomethyl)methanimidamide?
The IUPAC name of N-ethylidene-N'-(ethyliminomethyl)methanimidamide (CID 143476809) is N-ethylidene-N'-(ethyliminomethyl)methanimidamide.
What is the SMILES notation for N-ethylidene-N'-(ethyliminomethyl)methanimidamide?
The canonical SMILES for N-ethylidene-N'-(ethyliminomethyl)methanimidamide is C/C=N/C=N/C=N/CC.
What is the InChIKey of N-ethylidene-N'-(ethyliminomethyl)methanimidamide?
The InChIKey is MVLIBNUYYUMIMF-SRUHKMNSSA-N. The full InChI is InChI=1S/C6H11N3/c1-3-7-5-9-6-8-4-2/h3,5-6H,4H2,1-2H3/b7-3+,8-6+,9-5+.
What are the key properties of N-ethylidene-N'-(ethyliminomethyl)methanimidamide?
N-ethylidene-N'-(ethyliminomethyl)methanimidamide has a molecular weight of 125.17 g/mol, XLogP of 1.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylidene-N'-(ethyliminomethyl)methanimidamide is sourced from PubChem (CID 143476809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).