N-(dicyclopropylmethyl)-2,4,6-trimethylaniline

C16H23N — CID 54861632

IUPACN-(dicyclopropylmethyl)-2,4,6-trimethylaniline
SMILESCc1cc(C)c(NC(C2CC2)C2CC2)c(C)c1
InChIInChI=1S/C16H23N/c1-10-8-11(2)15(12(3)9-10)17-16(13-4-5-13)14-6-7-14/h8-9,13-14,16-17H,4-7H2,1-3H3
InChIKeyLPLJNHWWVXBQKW-UHFFFAOYSA-N
MW229.37 g/mol
LogP4.21
Rot. Bonds4

About N-(dicyclopropylmethyl)-2,4,6-trimethylaniline

N-(dicyclopropylmethyl)-2,4,6-trimethylaniline (PubChem CID 54861632) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-2,4,6-trimethylaniline.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-2,4,6-trimethylaniline
PubChem CID54861632
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC NameN-(dicyclopropylmethyl)-2,4,6-trimethylaniline
SMILESCc1cc(C)c(NC(C2CC2)C2CC2)c(C)c1
InChIInChI=1S/C16H23N/c1-10-8-11(2)15(12(3)9-10)17-16(13-4-5-13)14-6-7-14/h8-9,13-14,16-17H,4-7H2,1-3H3
InChIKeyLPLJNHWWVXBQKW-UHFFFAOYSA-N
XLogP4.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-2,4,6-trimethylaniline?
The IUPAC name of N-(dicyclopropylmethyl)-2,4,6-trimethylaniline (CID 54861632) is N-(dicyclopropylmethyl)-2,4,6-trimethylaniline.
What is the SMILES notation for N-(dicyclopropylmethyl)-2,4,6-trimethylaniline?
The canonical SMILES for N-(dicyclopropylmethyl)-2,4,6-trimethylaniline is Cc1cc(C)c(NC(C2CC2)C2CC2)c(C)c1.
What is the InChIKey of N-(dicyclopropylmethyl)-2,4,6-trimethylaniline?
The InChIKey is LPLJNHWWVXBQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-10-8-11(2)15(12(3)9-10)17-16(13-4-5-13)14-6-7-14/h8-9,13-14,16-17H,4-7H2,1-3H3.
What are the key properties of N-(dicyclopropylmethyl)-2,4,6-trimethylaniline?
N-(dicyclopropylmethyl)-2,4,6-trimethylaniline has a molecular weight of 229.37 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-2,4,6-trimethylaniline is sourced from PubChem (CID 54861632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).