N,N-diethyl-2-methyloxane-2-carboximidamide

C11H22N2O — CID 80681501

IUPACN,N-diethyl-2-methyloxane-2-carboximidamide
SMILES[H]/N=C(\N(CC)CC)C1(C)CCCCO1
InChIInChI=1S/C11H22N2O/c1-4-13(5-2)10(12)11(3)8-6-7-9-14-11/h12H,4-9H2,1-3H3/b12-10-
InChIKeyGZCUZZAEFAROKE-BENRWUELSA-N
MW198.31 g/mol
LogP2.26
Rot. Bonds3

About N,N-diethyl-2-methyloxane-2-carboximidamide

N,N-diethyl-2-methyloxane-2-carboximidamide (PubChem CID 80681501) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N,N-diethyl-2-methyloxane-2-carboximidamide.

Molecular Properties

Compound NameN,N-diethyl-2-methyloxane-2-carboximidamide
PubChem CID80681501
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN,N-diethyl-2-methyloxane-2-carboximidamide
SMILES[H]/N=C(\N(CC)CC)C1(C)CCCCO1
InChIInChI=1S/C11H22N2O/c1-4-13(5-2)10(12)11(3)8-6-7-9-14-11/h12H,4-9H2,1-3H3/b12-10-
InChIKeyGZCUZZAEFAROKE-BENRWUELSA-N
XLogP2.26
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-2-methyloxane-2-carboximidamide?
The IUPAC name of N,N-diethyl-2-methyloxane-2-carboximidamide (CID 80681501) is N,N-diethyl-2-methyloxane-2-carboximidamide.
What is the SMILES notation for N,N-diethyl-2-methyloxane-2-carboximidamide?
The canonical SMILES for N,N-diethyl-2-methyloxane-2-carboximidamide is [H]/N=C(\N(CC)CC)C1(C)CCCCO1.
What is the InChIKey of N,N-diethyl-2-methyloxane-2-carboximidamide?
The InChIKey is GZCUZZAEFAROKE-BENRWUELSA-N. The full InChI is InChI=1S/C11H22N2O/c1-4-13(5-2)10(12)11(3)8-6-7-9-14-11/h12H,4-9H2,1-3H3/b12-10-.
What are the key properties of N,N-diethyl-2-methyloxane-2-carboximidamide?
N,N-diethyl-2-methyloxane-2-carboximidamide has a molecular weight of 198.31 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-methyloxane-2-carboximidamide is sourced from PubChem (CID 80681501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).