2-(2-aminopropyl)-N-ethyl-N-(2-methylbutyl)aniline

C16H28N2 — CID 79481188

IUPAC2-(2-aminopropyl)-N-ethyl-N-(2-methylbutyl)aniline
SMILESCCC(C)CN(CC)c1ccccc1CC(C)N
InChIInChI=1S/C16H28N2/c1-5-13(3)12-18(6-2)16-10-8-7-9-15(16)11-14(4)17/h7-10,13-14H,5-6,11-12,17H2,1-4H3
InChIKeyNWFVBLOSNQIJGO-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.45
Rot. Bonds7

About 2-(2-aminopropyl)-N-ethyl-N-(2-methylbutyl)aniline

2-(2-aminopropyl)-N-ethyl-N-(2-methylbutyl)aniline (PubChem CID 79481188) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 2-(2-aminopropyl)-N-ethyl-N-(2-methylbutyl)aniline.

Molecular Properties

Compound Name2-(2-aminopropyl)-N-ethyl-N-(2-methylbutyl)aniline
PubChem CID79481188
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name2-(2-aminopropyl)-N-ethyl-N-(2-methylbutyl)aniline
SMILESCCC(C)CN(CC)c1ccccc1CC(C)N
InChIInChI=1S/C16H28N2/c1-5-13(3)12-18(6-2)16-10-8-7-9-15(16)11-14(4)17/h7-10,13-14H,5-6,11-12,17H2,1-4H3
InChIKeyNWFVBLOSNQIJGO-UHFFFAOYSA-N
XLogP3.45
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropyl)-N-ethyl-N-(2-methylbutyl)aniline?
The IUPAC name of 2-(2-aminopropyl)-N-ethyl-N-(2-methylbutyl)aniline (CID 79481188) is 2-(2-aminopropyl)-N-ethyl-N-(2-methylbutyl)aniline.
What is the SMILES notation for 2-(2-aminopropyl)-N-ethyl-N-(2-methylbutyl)aniline?
The canonical SMILES for 2-(2-aminopropyl)-N-ethyl-N-(2-methylbutyl)aniline is CCC(C)CN(CC)c1ccccc1CC(C)N.
What is the InChIKey of 2-(2-aminopropyl)-N-ethyl-N-(2-methylbutyl)aniline?
The InChIKey is NWFVBLOSNQIJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-5-13(3)12-18(6-2)16-10-8-7-9-15(16)11-14(4)17/h7-10,13-14H,5-6,11-12,17H2,1-4H3.
What are the key properties of 2-(2-aminopropyl)-N-ethyl-N-(2-methylbutyl)aniline?
2-(2-aminopropyl)-N-ethyl-N-(2-methylbutyl)aniline has a molecular weight of 248.41 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropyl)-N-ethyl-N-(2-methylbutyl)aniline is sourced from PubChem (CID 79481188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).