N'-ethyl-N-propylidenemethanimidamide

C6H12N2 — CID 58975953

IUPACN'-ethyl-N-propylidenemethanimidamide
SMILESCC/C=N/C=N/CC
InChIInChI=1S/C6H12N2/c1-3-5-8-6-7-4-2/h5-6H,3-4H2,1-2H3/b7-6+,8-5+
InChIKeyZERQRVDXQPINOB-ZCOYIIAOSA-N
MW112.18 g/mol
LogP1.52
Rot. Bonds3

About N'-ethyl-N-propylidenemethanimidamide

N'-ethyl-N-propylidenemethanimidamide (PubChem CID 58975953) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is N'-ethyl-N-propylidenemethanimidamide.

Molecular Properties

Compound NameN'-ethyl-N-propylidenemethanimidamide
PubChem CID58975953
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC NameN'-ethyl-N-propylidenemethanimidamide
SMILESCC/C=N/C=N/CC
InChIInChI=1S/C6H12N2/c1-3-5-8-6-7-4-2/h5-6H,3-4H2,1-2H3/b7-6+,8-5+
InChIKeyZERQRVDXQPINOB-ZCOYIIAOSA-N
XLogP1.52
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 51.52
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'-ethyl-N-propylidenemethanimidamide?
The IUPAC name of N'-ethyl-N-propylidenemethanimidamide (CID 58975953) is N'-ethyl-N-propylidenemethanimidamide.
What is the SMILES notation for N'-ethyl-N-propylidenemethanimidamide?
The canonical SMILES for N'-ethyl-N-propylidenemethanimidamide is CC/C=N/C=N/CC.
What is the InChIKey of N'-ethyl-N-propylidenemethanimidamide?
The InChIKey is ZERQRVDXQPINOB-ZCOYIIAOSA-N. The full InChI is InChI=1S/C6H12N2/c1-3-5-8-6-7-4-2/h5-6H,3-4H2,1-2H3/b7-6+,8-5+.
What are the key properties of N'-ethyl-N-propylidenemethanimidamide?
N'-ethyl-N-propylidenemethanimidamide has a molecular weight of 112.18 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-propylidenemethanimidamide is sourced from PubChem (CID 58975953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).