N,N-dimethylformamide;ethane;1-propan-2-ylpyrrolidine

C12H28N2O — CID 162750414

IUPACN,N-dimethylformamide;ethane;1-propan-2-ylpyrrolidine
SMILESCC.CC(C)N1CCCC1.CN(C)C=O
InChIInChI=1S/C7H15N.C3H7NO.C2H6/c1-7(2)8-5-3-4-6-8;1-4(2)3-5;1-2/h7H,3-6H2,1-2H3;3H,1-2H3;1-2H3
InChIKeyYQWULFRQQZBVPK-UHFFFAOYSA-N
MW216.37 g/mol
LogP2.22
Rot. Bonds2

About N,N-dimethylformamide;ethane;1-propan-2-ylpyrrolidine

N,N-dimethylformamide;ethane;1-propan-2-ylpyrrolidine (PubChem CID 162750414) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is N,N-dimethylformamide;ethane;1-propan-2-ylpyrrolidine.

Molecular Properties

Compound NameN,N-dimethylformamide;ethane;1-propan-2-ylpyrrolidine
PubChem CID162750414
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC NameN,N-dimethylformamide;ethane;1-propan-2-ylpyrrolidine
SMILESCC.CC(C)N1CCCC1.CN(C)C=O
InChIInChI=1S/C7H15N.C3H7NO.C2H6/c1-7(2)8-5-3-4-6-8;1-4(2)3-5;1-2/h7H,3-6H2,1-2H3;3H,1-2H3;1-2H3
InChIKeyYQWULFRQQZBVPK-UHFFFAOYSA-N
XLogP2.22
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,N-dimethylformamide;ethane;1-propan-2-ylpyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethylmethanamine;1-propan-2-ylpyrrolidine
CID 177158830
ethane;1-propan-2-ylpyrrolidine
CID 167557798
formic acid;1-propan-2-ylpyrrolidine
CID 162750581
ethane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 177140338
2,2-dimethylpropanal;ethane;1-propan-2-ylpiperidine
CID 177325455
N,N-diethylformamide;1-propan-2-ylazetidine
CID 142366047
ethane;methane;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 167622043
1-propan-2-ylpiperidine;hydrobromide
CID 44887258
N,N-dimethylpropan-2-amine;methane;1-propan-2-ylpiperidine
CID 159892581
1,4-dimethylpiperazine;2-methylpropanal;1-propan-2-ylpyrrolidine
CID 166458931
propan-2-one;1-propan-2-ylpyrrolidine
CID 160872903
fluoroform;1-propan-2-ylpyrrolidine
CID 169177583

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylformamide;ethane;1-propan-2-ylpyrrolidine?
The IUPAC name of N,N-dimethylformamide;ethane;1-propan-2-ylpyrrolidine (CID 162750414) is N,N-dimethylformamide;ethane;1-propan-2-ylpyrrolidine.
What is the SMILES notation for N,N-dimethylformamide;ethane;1-propan-2-ylpyrrolidine?
The canonical SMILES for N,N-dimethylformamide;ethane;1-propan-2-ylpyrrolidine is CC.CC(C)N1CCCC1.CN(C)C=O.
What is the InChIKey of N,N-dimethylformamide;ethane;1-propan-2-ylpyrrolidine?
The InChIKey is YQWULFRQQZBVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.C3H7NO.C2H6/c1-7(2)8-5-3-4-6-8;1-4(2)3-5;1-2/h7H,3-6H2,1-2H3;3H,1-2H3;1-2H3.
What are the key properties of N,N-dimethylformamide;ethane;1-propan-2-ylpyrrolidine?
N,N-dimethylformamide;ethane;1-propan-2-ylpyrrolidine has a molecular weight of 216.37 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylformamide;ethane;1-propan-2-ylpyrrolidine is sourced from PubChem (CID 162750414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).