N,N,N'-triethylmethanimidamide

C7H16N2 — CID 13042428

IUPACN,N,N'-triethylmethanimidamide
SMILESCC/N=C/N(CC)CC
InChIInChI=1S/C7H16N2/c1-4-8-7-9(5-2)6-3/h7H,4-6H2,1-3H3/b8-7+
InChIKeyUKJWQICBLZOQPV-BQYQJAHWSA-N
MW128.22 g/mol
LogP1.38
Rot. Bonds4

About N,N,N'-triethylmethanimidamide

N,N,N'-triethylmethanimidamide (PubChem CID 13042428) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is N,N,N'-triethylmethanimidamide.

Molecular Properties

Compound NameN,N,N'-triethylmethanimidamide
PubChem CID13042428
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC NameN,N,N'-triethylmethanimidamide
SMILESCC/N=C/N(CC)CC
InChIInChI=1S/C7H16N2/c1-4-8-7-9(5-2)6-3/h7H,4-6H2,1-3H3/b8-7+
InChIKeyUKJWQICBLZOQPV-BQYQJAHWSA-N
XLogP1.38
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 51.38
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,N,N'-triethylmethanimidamide?
The IUPAC name of N,N,N'-triethylmethanimidamide (CID 13042428) is N,N,N'-triethylmethanimidamide.
What is the SMILES notation for N,N,N'-triethylmethanimidamide?
The canonical SMILES for N,N,N'-triethylmethanimidamide is CC/N=C/N(CC)CC.
What is the InChIKey of N,N,N'-triethylmethanimidamide?
The InChIKey is UKJWQICBLZOQPV-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H16N2/c1-4-8-7-9(5-2)6-3/h7H,4-6H2,1-3H3/b8-7+.
What are the key properties of N,N,N'-triethylmethanimidamide?
N,N,N'-triethylmethanimidamide has a molecular weight of 128.22 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-triethylmethanimidamide is sourced from PubChem (CID 13042428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).