4-[4-[methyl(2-methylprop-2-enyl)amino]butan-2-yl]aniline

C15H24N2 — CID 113498668

IUPAC4-[4-[methyl(2-methylprop-2-enyl)amino]butan-2-yl]aniline
SMILESC=C(C)CN(C)CCC(C)c1ccc(N)cc1
InChIInChI=1S/C15H24N2/c1-12(2)11-17(4)10-9-13(3)14-5-7-15(16)8-6-14/h5-8,13H,1,9-11,16H2,2-4H3
InChIKeyLONIOKFUXIXWSS-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.27
Rot. Bonds6

About 4-[4-[methyl(2-methylprop-2-enyl)amino]butan-2-yl]aniline

4-[4-[methyl(2-methylprop-2-enyl)amino]butan-2-yl]aniline (PubChem CID 113498668) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 4-[4-[methyl(2-methylprop-2-enyl)amino]butan-2-yl]aniline.

Molecular Properties

Compound Name4-[4-[methyl(2-methylprop-2-enyl)amino]butan-2-yl]aniline
PubChem CID113498668
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name4-[4-[methyl(2-methylprop-2-enyl)amino]butan-2-yl]aniline
SMILESC=C(C)CN(C)CCC(C)c1ccc(N)cc1
InChIInChI=1S/C15H24N2/c1-12(2)11-17(4)10-9-13(3)14-5-7-15(16)8-6-14/h5-8,13H,1,9-11,16H2,2-4H3
InChIKeyLONIOKFUXIXWSS-UHFFFAOYSA-N
XLogP3.27
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[4-[benzyl(methyl)amino]butan-2-yl]aniline
CID 104501397
4-[4-(diethylamino)butan-2-yl]aniline
CID 104501389
4-[4-[methyl(pentan-3-yl)amino]butan-2-yl]aniline
CID 104501462
4-[4-[methyl(4-methylpentan-2-yl)amino]butan-2-yl]aniline
CID 104501576
4-[4-[methyl(2-thiophen-2-ylethyl)amino]butan-2-yl]aniline
CID 104501740
4-[4-[cyclohexyl(methyl)amino]butan-2-yl]aniline
CID 104501405
4-[4-[propan-2-yl(prop-2-enyl)amino]butan-2-yl]aniline
CID 104501778
4-N-methyl-4-N-(2-methylprop-2-enyl)benzene-1,4-diamine
CID 130933659
4-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butan-2-yl]aniline
CID 104501541
4-[1-(dimethylamino)propan-2-yl]aniline
CID 115015271
4-[4-[tert-butyl(prop-2-enyl)amino]butan-2-yl]aniline
CID 104501779
4-[4-[butyl(ethyl)amino]butan-2-yl]aniline
CID 113419964

Frequently Asked Questions

What is the IUPAC name of 4-[4-[methyl(2-methylprop-2-enyl)amino]butan-2-yl]aniline?
The IUPAC name of 4-[4-[methyl(2-methylprop-2-enyl)amino]butan-2-yl]aniline (CID 113498668) is 4-[4-[methyl(2-methylprop-2-enyl)amino]butan-2-yl]aniline.
What is the SMILES notation for 4-[4-[methyl(2-methylprop-2-enyl)amino]butan-2-yl]aniline?
The canonical SMILES for 4-[4-[methyl(2-methylprop-2-enyl)amino]butan-2-yl]aniline is C=C(C)CN(C)CCC(C)c1ccc(N)cc1.
What is the InChIKey of 4-[4-[methyl(2-methylprop-2-enyl)amino]butan-2-yl]aniline?
The InChIKey is LONIOKFUXIXWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-12(2)11-17(4)10-9-13(3)14-5-7-15(16)8-6-14/h5-8,13H,1,9-11,16H2,2-4H3.
What are the key properties of 4-[4-[methyl(2-methylprop-2-enyl)amino]butan-2-yl]aniline?
4-[4-[methyl(2-methylprop-2-enyl)amino]butan-2-yl]aniline has a molecular weight of 232.37 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[methyl(2-methylprop-2-enyl)amino]butan-2-yl]aniline is sourced from PubChem (CID 113498668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).