N-methyl-2,4-dipropylaniline

C13H21N — CID 23348993

IUPACN-methyl-2,4-dipropylaniline
SMILESCCCc1ccc(NC)c(CCC)c1
InChIInChI=1S/C13H21N/c1-4-6-11-8-9-13(14-3)12(10-11)7-5-2/h8-10,14H,4-7H2,1-3H3
InChIKeyINKVIQOOUCQTBX-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.63
Rot. Bonds5

About N-methyl-2,4-dipropylaniline

N-methyl-2,4-dipropylaniline (PubChem CID 23348993) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is N-methyl-2,4-dipropylaniline.

Molecular Properties

Compound NameN-methyl-2,4-dipropylaniline
PubChem CID23348993
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC NameN-methyl-2,4-dipropylaniline
SMILESCCCc1ccc(NC)c(CCC)c1
InChIInChI=1S/C13H21N/c1-4-6-11-8-9-13(14-3)12(10-11)7-5-2/h8-10,14H,4-7H2,1-3H3
InChIKeyINKVIQOOUCQTBX-UHFFFAOYSA-N
XLogP3.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2,4-dipropylaniline?
The IUPAC name of N-methyl-2,4-dipropylaniline (CID 23348993) is N-methyl-2,4-dipropylaniline.
What is the SMILES notation for N-methyl-2,4-dipropylaniline?
The canonical SMILES for N-methyl-2,4-dipropylaniline is CCCc1ccc(NC)c(CCC)c1.
What is the InChIKey of N-methyl-2,4-dipropylaniline?
The InChIKey is INKVIQOOUCQTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-4-6-11-8-9-13(14-3)12(10-11)7-5-2/h8-10,14H,4-7H2,1-3H3.
What are the key properties of N-methyl-2,4-dipropylaniline?
N-methyl-2,4-dipropylaniline has a molecular weight of 191.32 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2,4-dipropylaniline is sourced from PubChem (CID 23348993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).