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

C17H30N2 — CID 104501576

IUPAC4-[4-[methyl(4-methylpentan-2-yl)amino]butan-2-yl]aniline
SMILESCC(C)CC(C)N(C)CCC(C)c1ccc(N)cc1
InChIInChI=1S/C17H30N2/c1-13(2)12-15(4)19(5)11-10-14(3)16-6-8-17(18)9-7-16/h6-9,13-15H,10-12,18H2,1-5H3
InChIKeyVROVSRCPXICLJV-UHFFFAOYSA-N
MW262.44 g/mol
LogP4.13
Rot. Bonds7

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

4-[4-[methyl(4-methylpentan-2-yl)amino]butan-2-yl]aniline (PubChem CID 104501576) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 4-[4-[methyl(4-methylpentan-2-yl)amino]butan-2-yl]aniline.

Molecular Properties

Compound Name4-[4-[methyl(4-methylpentan-2-yl)amino]butan-2-yl]aniline
PubChem CID104501576
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name4-[4-[methyl(4-methylpentan-2-yl)amino]butan-2-yl]aniline
SMILESCC(C)CC(C)N(C)CCC(C)c1ccc(N)cc1
InChIInChI=1S/C17H30N2/c1-13(2)12-15(4)19(5)11-10-14(3)16-6-8-17(18)9-7-16/h6-9,13-15H,10-12,18H2,1-5H3
InChIKeyVROVSRCPXICLJV-UHFFFAOYSA-N
XLogP4.13
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[4-[methyl(pentan-3-yl)amino]butan-2-yl]aniline
CID 104501462
4-[4-(diethylamino)butan-2-yl]aniline
CID 104501389
1-(4-aminophenyl)-2-[methyl(4-methylpentan-2-yl)amino]ethanol
CID 55055823
4-[4-[butyl(ethyl)amino]butan-2-yl]aniline
CID 113419964
4-[4-[methyl(2-methylprop-2-enyl)amino]butan-2-yl]aniline
CID 113498668
4-[4-[benzyl(methyl)amino]butan-2-yl]aniline
CID 104501397
N-[3-(4-aminophenyl)butyl]-N-ethyl-4-methylaniline
CID 104501623
4-[4-[cyclohexyl(methyl)amino]butan-2-yl]aniline
CID 104501405
N,N'-dimethyl-N'-(4-methylpentan-2-yl)-1-(4-methylphenyl)propane-1,3-diamine
CID 62619308
4-[1-(dimethylamino)propan-2-yl]aniline
CID 115015271
4-docosan-2-ylaniline
CID 22757336
4-[4-[2-ethoxyethyl(ethyl)amino]butan-2-yl]aniline
CID 104501682

Frequently Asked Questions

What is the IUPAC name of 4-[4-[methyl(4-methylpentan-2-yl)amino]butan-2-yl]aniline?
The IUPAC name of 4-[4-[methyl(4-methylpentan-2-yl)amino]butan-2-yl]aniline (CID 104501576) is 4-[4-[methyl(4-methylpentan-2-yl)amino]butan-2-yl]aniline.
What is the SMILES notation for 4-[4-[methyl(4-methylpentan-2-yl)amino]butan-2-yl]aniline?
The canonical SMILES for 4-[4-[methyl(4-methylpentan-2-yl)amino]butan-2-yl]aniline is CC(C)CC(C)N(C)CCC(C)c1ccc(N)cc1.
What is the InChIKey of 4-[4-[methyl(4-methylpentan-2-yl)amino]butan-2-yl]aniline?
The InChIKey is VROVSRCPXICLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-13(2)12-15(4)19(5)11-10-14(3)16-6-8-17(18)9-7-16/h6-9,13-15H,10-12,18H2,1-5H3.
What are the key properties of 4-[4-[methyl(4-methylpentan-2-yl)amino]butan-2-yl]aniline?
4-[4-[methyl(4-methylpentan-2-yl)amino]butan-2-yl]aniline has a molecular weight of 262.44 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[methyl(4-methylpentan-2-yl)amino]butan-2-yl]aniline is sourced from PubChem (CID 104501576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).