N-butyl-N-methylaniline

C11H17N — CID 577473

IUPACN-butyl-N-methylaniline
SMILESCCCCN(C)c1ccccc1
InChIInChI=1S/C11H17N/c1-3-4-10-12(2)11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3
InChIKeyYLRCMGYQFGOZLP-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.92
Rot. Bonds4

About N-butyl-N-methylaniline

N-butyl-N-methylaniline (PubChem CID 577473) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is N-butyl-N-methylaniline.

Molecular Properties

Compound NameN-butyl-N-methylaniline
PubChem CID577473
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC NameN-butyl-N-methylaniline
SMILESCCCCN(C)c1ccccc1
InChIInChI=1S/C11H17N/c1-3-4-10-12(2)11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3
InChIKeyYLRCMGYQFGOZLP-UHFFFAOYSA-N
XLogP2.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methylaniline?
The IUPAC name of N-butyl-N-methylaniline (CID 577473) is N-butyl-N-methylaniline.
What is the SMILES notation for N-butyl-N-methylaniline?
The canonical SMILES for N-butyl-N-methylaniline is CCCCN(C)c1ccccc1.
What is the InChIKey of N-butyl-N-methylaniline?
The InChIKey is YLRCMGYQFGOZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-3-4-10-12(2)11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3.
What are the key properties of N-butyl-N-methylaniline?
N-butyl-N-methylaniline has a molecular weight of 163.26 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methylaniline is sourced from PubChem (CID 577473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).