3-cyclopropyl-N,N-dimethylaniline;propyl acetate

C16H25NO2 — CID 70638939

IUPAC3-cyclopropyl-N,N-dimethylaniline;propyl acetate
SMILESCCCOC(C)=O.CN(C)c1cccc(C2CC2)c1
InChIInChI=1S/C11H15N.C5H10O2/c1-12(2)11-5-3-4-10(8-11)9-6-7-9;1-3-4-7-5(2)6/h3-5,8-9H,6-7H2,1-2H3;3-4H2,1-2H3
InChIKeyTYCHWLINXZNJFA-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.59
Rot. Bonds4

About 3-cyclopropyl-N,N-dimethylaniline;propyl acetate

3-cyclopropyl-N,N-dimethylaniline;propyl acetate (PubChem CID 70638939) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-cyclopropyl-N,N-dimethylaniline;propyl acetate.

Molecular Properties

Compound Name3-cyclopropyl-N,N-dimethylaniline;propyl acetate
PubChem CID70638939
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name3-cyclopropyl-N,N-dimethylaniline;propyl acetate
SMILESCCCOC(C)=O.CN(C)c1cccc(C2CC2)c1
InChIInChI=1S/C11H15N.C5H10O2/c1-12(2)11-5-3-4-10(8-11)9-6-7-9;1-3-4-7-5(2)6/h3-5,8-9H,6-7H2,1-2H3;3-4H2,1-2H3
InChIKeyTYCHWLINXZNJFA-UHFFFAOYSA-N
XLogP3.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N,N-dimethylaniline;propyl acetate?
The IUPAC name of 3-cyclopropyl-N,N-dimethylaniline;propyl acetate (CID 70638939) is 3-cyclopropyl-N,N-dimethylaniline;propyl acetate.
What is the SMILES notation for 3-cyclopropyl-N,N-dimethylaniline;propyl acetate?
The canonical SMILES for 3-cyclopropyl-N,N-dimethylaniline;propyl acetate is CCCOC(C)=O.CN(C)c1cccc(C2CC2)c1.
What is the InChIKey of 3-cyclopropyl-N,N-dimethylaniline;propyl acetate?
The InChIKey is TYCHWLINXZNJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N.C5H10O2/c1-12(2)11-5-3-4-10(8-11)9-6-7-9;1-3-4-7-5(2)6/h3-5,8-9H,6-7H2,1-2H3;3-4H2,1-2H3.
What are the key properties of 3-cyclopropyl-N,N-dimethylaniline;propyl acetate?
3-cyclopropyl-N,N-dimethylaniline;propyl acetate has a molecular weight of 263.38 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N,N-dimethylaniline;propyl acetate is sourced from PubChem (CID 70638939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).