3-[3-[ethyl(2-ethylbutyl)amino]propyl]aniline

C17H30N2 — CID 115341887

IUPAC3-[3-[ethyl(2-ethylbutyl)amino]propyl]aniline
SMILESCCC(CC)CN(CC)CCCc1cccc(N)c1
InChIInChI=1S/C17H30N2/c1-4-15(5-2)14-19(6-3)12-8-10-16-9-7-11-17(18)13-16/h7,9,11,13,15H,4-6,8,10,12,14,18H2,1-3H3
InChIKeyOVJGHDIXYJFXBF-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.96
Rot. Bonds9

About 3-[3-[ethyl(2-ethylbutyl)amino]propyl]aniline

3-[3-[ethyl(2-ethylbutyl)amino]propyl]aniline (PubChem CID 115341887) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 3-[3-[ethyl(2-ethylbutyl)amino]propyl]aniline.

Molecular Properties

Compound Name3-[3-[ethyl(2-ethylbutyl)amino]propyl]aniline
PubChem CID115341887
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name3-[3-[ethyl(2-ethylbutyl)amino]propyl]aniline
SMILESCCC(CC)CN(CC)CCCc1cccc(N)c1
InChIInChI=1S/C17H30N2/c1-4-15(5-2)14-19(6-3)12-8-10-16-9-7-11-17(18)13-16/h7,9,11,13,15H,4-6,8,10,12,14,18H2,1-3H3
InChIKeyOVJGHDIXYJFXBF-UHFFFAOYSA-N
XLogP3.96
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[ethyl(2-ethylbutyl)amino]propyl]aniline?
The IUPAC name of 3-[3-[ethyl(2-ethylbutyl)amino]propyl]aniline (CID 115341887) is 3-[3-[ethyl(2-ethylbutyl)amino]propyl]aniline.
What is the SMILES notation for 3-[3-[ethyl(2-ethylbutyl)amino]propyl]aniline?
The canonical SMILES for 3-[3-[ethyl(2-ethylbutyl)amino]propyl]aniline is CCC(CC)CN(CC)CCCc1cccc(N)c1.
What is the InChIKey of 3-[3-[ethyl(2-ethylbutyl)amino]propyl]aniline?
The InChIKey is OVJGHDIXYJFXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-4-15(5-2)14-19(6-3)12-8-10-16-9-7-11-17(18)13-16/h7,9,11,13,15H,4-6,8,10,12,14,18H2,1-3H3.
What are the key properties of 3-[3-[ethyl(2-ethylbutyl)amino]propyl]aniline?
3-[3-[ethyl(2-ethylbutyl)amino]propyl]aniline has a molecular weight of 262.44 g/mol, XLogP of 3.96, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[ethyl(2-ethylbutyl)amino]propyl]aniline is sourced from PubChem (CID 115341887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).