N,N-diethyloxolane-3-carboximidamide

C9H18N2O — CID 65329829

IUPACN,N-diethyloxolane-3-carboximidamide
SMILES[H]/N=C(/C1CCOC1)N(CC)CC
InChIInChI=1S/C9H18N2O/c1-3-11(4-2)9(10)8-5-6-12-7-8/h8,10H,3-7H2,1-2H3/b10-9-
InChIKeyAOMLGPVICDOPDW-KTKRTIGZSA-N
MW170.26 g/mol
LogP1.34
Rot. Bonds3

About N,N-diethyloxolane-3-carboximidamide

N,N-diethyloxolane-3-carboximidamide (PubChem CID 65329829) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N,N-diethyloxolane-3-carboximidamide.

Molecular Properties

Compound NameN,N-diethyloxolane-3-carboximidamide
PubChem CID65329829
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN,N-diethyloxolane-3-carboximidamide
SMILES[H]/N=C(/C1CCOC1)N(CC)CC
InChIInChI=1S/C9H18N2O/c1-3-11(4-2)9(10)8-5-6-12-7-8/h8,10H,3-7H2,1-2H3/b10-9-
InChIKeyAOMLGPVICDOPDW-KTKRTIGZSA-N
XLogP1.34
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.34
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-diethyloxane-3-carboximidamide
CID 65333838
N,N-diethylthiolane-2-carboximidamide
CID 80636559
N,N-dimethyl-2-(oxolan-3-yl)ethanimidamide
CID 103988079
N-methyl-N-(oxan-3-ylmethyl)cyclohexanecarboximidamide
CID 63707933
N-methyl-N-(oxolan-3-ylmethyl)ethanimidamide
CID 130942452
3-methyl-1-(oxolan-3-yl)pentan-1-one
CID 65330399
N-(2-chloroethyl)-N-ethyloxane-3-carboxamide
CID 63395312
[1-(diethylamino)cyclopentyl]-(oxolan-3-yl)methanone
CID 79070012
2-(dipropylamino)-1-(oxolan-3-yl)ethanone
CID 104749952
N-ethyl-3-methyl-N-[[(3S)-oxolan-3-yl]methyl]butanamide
CID 94186751
(2S)-2-amino-N-ethyl-N-(oxolan-3-ylmethyl)propanamide
CID 61148831
N-ethyl-3-methyl-N-(oxolan-3-ylmethyl)butanamide
CID 51082548

Frequently Asked Questions

What is the IUPAC name of N,N-diethyloxolane-3-carboximidamide?
The IUPAC name of N,N-diethyloxolane-3-carboximidamide (CID 65329829) is N,N-diethyloxolane-3-carboximidamide.
What is the SMILES notation for N,N-diethyloxolane-3-carboximidamide?
The canonical SMILES for N,N-diethyloxolane-3-carboximidamide is [H]/N=C(/C1CCOC1)N(CC)CC.
What is the InChIKey of N,N-diethyloxolane-3-carboximidamide?
The InChIKey is AOMLGPVICDOPDW-KTKRTIGZSA-N. The full InChI is InChI=1S/C9H18N2O/c1-3-11(4-2)9(10)8-5-6-12-7-8/h8,10H,3-7H2,1-2H3/b10-9-.
What are the key properties of N,N-diethyloxolane-3-carboximidamide?
N,N-diethyloxolane-3-carboximidamide has a molecular weight of 170.26 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyloxolane-3-carboximidamide is sourced from PubChem (CID 65329829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).