N,N'-diethyl-N-methylmethanimidamide

C6H14N2 — CID 88937103

IUPACN,N'-diethyl-N-methylmethanimidamide
SMILESCC/N=C/N(C)CC
InChIInChI=1S/C6H14N2/c1-4-7-6-8(3)5-2/h6H,4-5H2,1-3H3/b7-6+
InChIKeyQFCCMOVIABICEB-VOTSOKGWSA-N
MW114.19 g/mol
LogP0.99
Rot. Bonds3

About N,N'-diethyl-N-methylmethanimidamide

N,N'-diethyl-N-methylmethanimidamide (PubChem CID 88937103) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is N,N'-diethyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN,N'-diethyl-N-methylmethanimidamide
PubChem CID88937103
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC NameN,N'-diethyl-N-methylmethanimidamide
SMILESCC/N=C/N(C)CC
InChIInChI=1S/C6H14N2/c1-4-7-6-8(3)5-2/h6H,4-5H2,1-3H3/b7-6+
InChIKeyQFCCMOVIABICEB-VOTSOKGWSA-N
XLogP0.99
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 50.99
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'-diethyl-N-methylmethanimidamide?
The IUPAC name of N,N'-diethyl-N-methylmethanimidamide (CID 88937103) is N,N'-diethyl-N-methylmethanimidamide.
What is the SMILES notation for N,N'-diethyl-N-methylmethanimidamide?
The canonical SMILES for N,N'-diethyl-N-methylmethanimidamide is CC/N=C/N(C)CC.
What is the InChIKey of N,N'-diethyl-N-methylmethanimidamide?
The InChIKey is QFCCMOVIABICEB-VOTSOKGWSA-N. The full InChI is InChI=1S/C6H14N2/c1-4-7-6-8(3)5-2/h6H,4-5H2,1-3H3/b7-6+.
What are the key properties of N,N'-diethyl-N-methylmethanimidamide?
N,N'-diethyl-N-methylmethanimidamide has a molecular weight of 114.19 g/mol, XLogP of 0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diethyl-N-methylmethanimidamide is sourced from PubChem (CID 88937103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).