N,N-diethyloxane-3-carboximidamide

C10H20N2O — CID 65333838

IUPACN,N-diethyloxane-3-carboximidamide
SMILES[H]/N=C(/C1CCCOC1)N(CC)CC
InChIInChI=1S/C10H20N2O/c1-3-12(4-2)10(11)9-6-5-7-13-8-9/h9,11H,3-8H2,1-2H3/b11-10-
InChIKeyKEIWLGLBTIBXCW-KHPPLWFESA-N
MW184.28 g/mol
LogP1.73
Rot. Bonds3

About N,N-diethyloxane-3-carboximidamide

N,N-diethyloxane-3-carboximidamide (PubChem CID 65333838) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is N,N-diethyloxane-3-carboximidamide.

Molecular Properties

Compound NameN,N-diethyloxane-3-carboximidamide
PubChem CID65333838
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC NameN,N-diethyloxane-3-carboximidamide
SMILES[H]/N=C(/C1CCCOC1)N(CC)CC
InChIInChI=1S/C10H20N2O/c1-3-12(4-2)10(11)9-6-5-7-13-8-9/h9,11H,3-8H2,1-2H3/b11-10-
InChIKeyKEIWLGLBTIBXCW-KHPPLWFESA-N
XLogP1.73
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.73
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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Related Compounds

N,N-diethyloxolane-3-carboximidamide
CID 65329829
N-methyl-N-(oxan-3-ylmethyl)cyclohexanecarboximidamide
CID 63707933
N-(2-chloroethyl)-N-ethyloxane-3-carboxamide
CID 63395312
N-(2-amino-2-sulfanylideneethyl)-N-ethyloxane-3-carboxamide
CID 63014350
N-methyl-N-(oxan-3-ylmethyl)ethanimidamide
CID 63707795
2-(dimethylamino)-2-ethyl-1-(oxan-3-yl)butan-1-one
CID 107135929
N-(2-cyanopropyl)-N-ethyloxane-3-carboxamide
CID 63014346
N-(1-hydroxypropan-2-yl)-N-methyloxane-3-carboxamide
CID 109388602
(4-methylpiperazin-1-yl)-(oxan-3-yl)methanimine
CID 65333889
N-cyclopentyl-N-ethylcyclohexanecarboximidamide
CID 63175660
(3S)-3-prop-1-en-2-yloxane
CID 154017208
1-(oxan-3-yl)pentan-1-one
CID 65332332

Frequently Asked Questions

What is the IUPAC name of N,N-diethyloxane-3-carboximidamide?
The IUPAC name of N,N-diethyloxane-3-carboximidamide (CID 65333838) is N,N-diethyloxane-3-carboximidamide.
What is the SMILES notation for N,N-diethyloxane-3-carboximidamide?
The canonical SMILES for N,N-diethyloxane-3-carboximidamide is [H]/N=C(/C1CCCOC1)N(CC)CC.
What is the InChIKey of N,N-diethyloxane-3-carboximidamide?
The InChIKey is KEIWLGLBTIBXCW-KHPPLWFESA-N. The full InChI is InChI=1S/C10H20N2O/c1-3-12(4-2)10(11)9-6-5-7-13-8-9/h9,11H,3-8H2,1-2H3/b11-10-.
What are the key properties of N,N-diethyloxane-3-carboximidamide?
N,N-diethyloxane-3-carboximidamide has a molecular weight of 184.28 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyloxane-3-carboximidamide is sourced from PubChem (CID 65333838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).