4-[1-[2,2-dimethylpropyl(methyl)amino]-2-methylpropan-2-yl]aniline

C16H28N2 — CID 80556642

IUPAC4-[1-[2,2-dimethylpropyl(methyl)amino]-2-methylpropan-2-yl]aniline
SMILESCN(CC(C)(C)C)CC(C)(C)c1ccc(N)cc1
InChIInChI=1S/C16H28N2/c1-15(2,3)11-18(6)12-16(4,5)13-7-9-14(17)10-8-13/h7-10H,11-12,17H2,1-6H3
InChIKeyRETKTTLJHFNWPD-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.52
Rot. Bonds4

About 4-[1-[2,2-dimethylpropyl(methyl)amino]-2-methylpropan-2-yl]aniline

4-[1-[2,2-dimethylpropyl(methyl)amino]-2-methylpropan-2-yl]aniline (PubChem CID 80556642) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 4-[1-[2,2-dimethylpropyl(methyl)amino]-2-methylpropan-2-yl]aniline.

Molecular Properties

Compound Name4-[1-[2,2-dimethylpropyl(methyl)amino]-2-methylpropan-2-yl]aniline
PubChem CID80556642
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name4-[1-[2,2-dimethylpropyl(methyl)amino]-2-methylpropan-2-yl]aniline
SMILESCN(CC(C)(C)C)CC(C)(C)c1ccc(N)cc1
InChIInChI=1S/C16H28N2/c1-15(2,3)11-18(6)12-16(4,5)13-7-9-14(17)10-8-13/h7-10H,11-12,17H2,1-6H3
InChIKeyRETKTTLJHFNWPD-UHFFFAOYSA-N
XLogP3.52
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.52
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 4-[1-[2,2-dimethylpropyl(methyl)amino]-2-methylpropan-2-yl]aniline?
The IUPAC name of 4-[1-[2,2-dimethylpropyl(methyl)amino]-2-methylpropan-2-yl]aniline (CID 80556642) is 4-[1-[2,2-dimethylpropyl(methyl)amino]-2-methylpropan-2-yl]aniline.
What is the SMILES notation for 4-[1-[2,2-dimethylpropyl(methyl)amino]-2-methylpropan-2-yl]aniline?
The canonical SMILES for 4-[1-[2,2-dimethylpropyl(methyl)amino]-2-methylpropan-2-yl]aniline is CN(CC(C)(C)C)CC(C)(C)c1ccc(N)cc1.
What is the InChIKey of 4-[1-[2,2-dimethylpropyl(methyl)amino]-2-methylpropan-2-yl]aniline?
The InChIKey is RETKTTLJHFNWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-15(2,3)11-18(6)12-16(4,5)13-7-9-14(17)10-8-13/h7-10H,11-12,17H2,1-6H3.
What are the key properties of 4-[1-[2,2-dimethylpropyl(methyl)amino]-2-methylpropan-2-yl]aniline?
4-[1-[2,2-dimethylpropyl(methyl)amino]-2-methylpropan-2-yl]aniline has a molecular weight of 248.41 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2,2-dimethylpropyl(methyl)amino]-2-methylpropan-2-yl]aniline is sourced from PubChem (CID 80556642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).