4-methyl-N,N-dipropylaniline

C13H21N — CID 11171516

IUPAC4-methyl-N,N-dipropylaniline
SMILESCCCN(CCC)c1ccc(C)cc1
InChIInChI=1S/C13H21N/c1-4-10-14(11-5-2)13-8-6-12(3)7-9-13/h6-9H,4-5,10-11H2,1-3H3
InChIKeyILOZECIQNMSVCK-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.62
Rot. Bonds5

About 4-methyl-N,N-dipropylaniline

4-methyl-N,N-dipropylaniline (PubChem CID 11171516) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 4-methyl-N,N-dipropylaniline.

Molecular Properties

Compound Name4-methyl-N,N-dipropylaniline
PubChem CID11171516
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name4-methyl-N,N-dipropylaniline
SMILESCCCN(CCC)c1ccc(C)cc1
InChIInChI=1S/C13H21N/c1-4-10-14(11-5-2)13-8-6-12(3)7-9-13/h6-9H,4-5,10-11H2,1-3H3
InChIKeyILOZECIQNMSVCK-UHFFFAOYSA-N
XLogP3.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N,N-dipropylaniline?
The IUPAC name of 4-methyl-N,N-dipropylaniline (CID 11171516) is 4-methyl-N,N-dipropylaniline.
What is the SMILES notation for 4-methyl-N,N-dipropylaniline?
The canonical SMILES for 4-methyl-N,N-dipropylaniline is CCCN(CCC)c1ccc(C)cc1.
What is the InChIKey of 4-methyl-N,N-dipropylaniline?
The InChIKey is ILOZECIQNMSVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-4-10-14(11-5-2)13-8-6-12(3)7-9-13/h6-9H,4-5,10-11H2,1-3H3.
What are the key properties of 4-methyl-N,N-dipropylaniline?
4-methyl-N,N-dipropylaniline has a molecular weight of 191.32 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N,N-dipropylaniline is sourced from PubChem (CID 11171516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).