N,N-diethylformamide;1-propan-2-ylazetidine

C11H24N2O — CID 142366047

IUPACN,N-diethylformamide;1-propan-2-ylazetidine
SMILESCC(C)N1CCC1.CCN(C=O)CC
InChIInChI=1S/C6H13N.C5H11NO/c1-6(2)7-4-3-5-7;1-3-6(4-2)5-7/h6H,3-5H2,1-2H3;5H,3-4H2,1-2H3
InChIKeyZTIDNCJZVVGGBQ-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.59
Rot. Bonds4

About N,N-diethylformamide;1-propan-2-ylazetidine

N,N-diethylformamide;1-propan-2-ylazetidine (PubChem CID 142366047) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is N,N-diethylformamide;1-propan-2-ylazetidine.

Molecular Properties

Compound NameN,N-diethylformamide;1-propan-2-ylazetidine
PubChem CID142366047
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC NameN,N-diethylformamide;1-propan-2-ylazetidine
SMILESCC(C)N1CCC1.CCN(C=O)CC
InChIInChI=1S/C6H13N.C5H11NO/c1-6(2)7-4-3-5-7;1-3-6(4-2)5-7/h6H,3-5H2,1-2H3;5H,3-4H2,1-2H3
InChIKeyZTIDNCJZVVGGBQ-UHFFFAOYSA-N
XLogP1.59
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

Formamide, N-butyl-N-(1-methylethyl)-
CID 547377
N-[(2S)-2-(3-fluoroazetidin-1-yl)butyl]-N-methylformamide
CID 172374473
N,N-di(butan-2-yl)formamide
CID 11040954
N-butan-2-yl-N-propylformamide
CID 18924573
N-methyl-N-[1-[methyl(propan-2-yl)amino]propan-2-yl]formamide
CID 19840883
N,N-di(pentan-3-yl)formamide
CID 19959733
DIEA N,N-dimethylformamide
CID 21988380
cyclobutane;N-pentan-3-yl-N-propylformamide
CID 22749904
N-butan-2-yl-N-propan-2-ylformamide
CID 22996971
N-butan-2-yl-N-butylformamide
CID 54190889
N-ethyl-N-pentan-3-ylformamide
CID 54412311
N-pentan-3-yl-N-propan-2-ylformamide
CID 57103396

Frequently Asked Questions

What is the IUPAC name of N,N-diethylformamide;1-propan-2-ylazetidine?
The IUPAC name of N,N-diethylformamide;1-propan-2-ylazetidine (CID 142366047) is N,N-diethylformamide;1-propan-2-ylazetidine.
What is the SMILES notation for N,N-diethylformamide;1-propan-2-ylazetidine?
The canonical SMILES for N,N-diethylformamide;1-propan-2-ylazetidine is CC(C)N1CCC1.CCN(C=O)CC.
What is the InChIKey of N,N-diethylformamide;1-propan-2-ylazetidine?
The InChIKey is ZTIDNCJZVVGGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C5H11NO/c1-6(2)7-4-3-5-7;1-3-6(4-2)5-7/h6H,3-5H2,1-2H3;5H,3-4H2,1-2H3.
What are the key properties of N,N-diethylformamide;1-propan-2-ylazetidine?
N,N-diethylformamide;1-propan-2-ylazetidine has a molecular weight of 200.33 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylformamide;1-propan-2-ylazetidine is sourced from PubChem (CID 142366047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).