4-[3-[ethyl(2-methylbutyl)amino]propyl]aniline

C16H28N2 — CID 115342218

IUPAC4-[3-[ethyl(2-methylbutyl)amino]propyl]aniline
SMILESCCC(C)CN(CC)CCCc1ccc(N)cc1
InChIInChI=1S/C16H28N2/c1-4-14(3)13-18(5-2)12-6-7-15-8-10-16(17)11-9-15/h8-11,14H,4-7,12-13,17H2,1-3H3
InChIKeyXLDPNKNQWUMDOX-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.57
Rot. Bonds8

About 4-[3-[ethyl(2-methylbutyl)amino]propyl]aniline

4-[3-[ethyl(2-methylbutyl)amino]propyl]aniline (PubChem CID 115342218) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 4-[3-[ethyl(2-methylbutyl)amino]propyl]aniline.

Molecular Properties

Compound Name4-[3-[ethyl(2-methylbutyl)amino]propyl]aniline
PubChem CID115342218
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name4-[3-[ethyl(2-methylbutyl)amino]propyl]aniline
SMILESCCC(C)CN(CC)CCCc1ccc(N)cc1
InChIInChI=1S/C16H28N2/c1-4-14(3)13-18(5-2)12-6-7-15-8-10-16(17)11-9-15/h8-11,14H,4-7,12-13,17H2,1-3H3
InChIKeyXLDPNKNQWUMDOX-UHFFFAOYSA-N
XLogP3.57
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[3-(diethylamino)propyl]aniline
CID 10608385
4-[2-[ethyl(2-methylbutyl)amino]ethoxy]aniline
CID 79477986
N'-[3-(4-aminophenyl)propyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 115341967
4-[3-(dimethylamino)propyl]aniline;ethane
CID 144651557
4-[3-[methyl(3-methylbutyl)amino]propyl]aniline
CID 115341869
3-[3-[ethyl(2-ethylbutyl)amino]propyl]aniline
CID 115341887
4-[3-[butan-2-yl(2-methoxyethyl)amino]propyl]aniline
CID 115341943
4-[2-[ethyl(propan-2-yl)amino]ethyl]aniline
CID 43265922
4-[3-(2-methylbutylsulfanyl)propyl]aniline
CID 107754753
4-[3-[methyl(pentyl)amino]propyl]aniline
CID 113290597
4-[3-[methyl(1-methylsulfanylbutan-2-yl)amino]propyl]aniline
CID 112660972
3-[ethyl(3-phenylpropyl)amino]-2-methylpropanenitrile
CID 61225285

Frequently Asked Questions

What is the IUPAC name of 4-[3-[ethyl(2-methylbutyl)amino]propyl]aniline?
The IUPAC name of 4-[3-[ethyl(2-methylbutyl)amino]propyl]aniline (CID 115342218) is 4-[3-[ethyl(2-methylbutyl)amino]propyl]aniline.
What is the SMILES notation for 4-[3-[ethyl(2-methylbutyl)amino]propyl]aniline?
The canonical SMILES for 4-[3-[ethyl(2-methylbutyl)amino]propyl]aniline is CCC(C)CN(CC)CCCc1ccc(N)cc1.
What is the InChIKey of 4-[3-[ethyl(2-methylbutyl)amino]propyl]aniline?
The InChIKey is XLDPNKNQWUMDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-4-14(3)13-18(5-2)12-6-7-15-8-10-16(17)11-9-15/h8-11,14H,4-7,12-13,17H2,1-3H3.
What are the key properties of 4-[3-[ethyl(2-methylbutyl)amino]propyl]aniline?
4-[3-[ethyl(2-methylbutyl)amino]propyl]aniline has a molecular weight of 248.41 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[ethyl(2-methylbutyl)amino]propyl]aniline is sourced from PubChem (CID 115342218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).