4-[(tert-butylamino)methyl]-N,2-dimethyl-N-pentan-2-ylaniline

C18H32N2 — CID 63550593

IUPAC4-[(tert-butylamino)methyl]-N,2-dimethyl-N-pentan-2-ylaniline
SMILESCCCC(C)N(C)c1ccc(CNC(C)(C)C)cc1C
InChIInChI=1S/C18H32N2/c1-8-9-15(3)20(7)17-11-10-16(12-14(17)2)13-19-18(4,5)6/h10-12,15,19H,8-9,13H2,1-7H3
InChIKeyNJOMLRUERYGNSG-UHFFFAOYSA-N
MW276.47 g/mol
LogP4.51
Rot. Bonds6

About 4-[(tert-butylamino)methyl]-N,2-dimethyl-N-pentan-2-ylaniline

4-[(tert-butylamino)methyl]-N,2-dimethyl-N-pentan-2-ylaniline (PubChem CID 63550593) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 4-[(tert-butylamino)methyl]-N,2-dimethyl-N-pentan-2-ylaniline.

Molecular Properties

Compound Name4-[(tert-butylamino)methyl]-N,2-dimethyl-N-pentan-2-ylaniline
PubChem CID63550593
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name4-[(tert-butylamino)methyl]-N,2-dimethyl-N-pentan-2-ylaniline
SMILESCCCC(C)N(C)c1ccc(CNC(C)(C)C)cc1C
InChIInChI=1S/C18H32N2/c1-8-9-15(3)20(7)17-11-10-16(12-14(17)2)13-19-18(4,5)6/h10-12,15,19H,8-9,13H2,1-7H3
InChIKeyNJOMLRUERYGNSG-UHFFFAOYSA-N
XLogP4.51
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze 4-[(tert-butylamino)methyl]-N,2-dimethyl-N-pentan-2-ylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(tert-butylamino)methyl]-N,2-dimethyl-N-propylaniline
CID 62120667
4-[(tert-butylamino)methyl]-N,2-dimethyl-N-(3-methylbutyl)aniline
CID 63550606
5-[(tert-butylamino)methyl]-N,3-dimethyl-N-pentan-2-ylpyridin-2-amine
CID 80630255
N-(3,3-dimethylbutan-2-yl)-N,2-dimethyl-4-(propylaminomethyl)aniline
CID 63550642
N-butan-2-yl-4-(ethylaminomethyl)-N,2-dimethylaniline
CID 62121015
4-[(tert-butylamino)methyl]-N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 62123132
2-[4-[(tert-butylamino)methyl]-N-ethyl-2-methylanilino]-N-methylacetamide
CID 62120854
N,2-dimethyl-4-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)aniline
CID 112662365
4-[(tert-butylamino)methyl]-N,2-dimethyl-N-(2-methylsulfonylethyl)aniline
CID 79843635
4-[(tert-butylamino)methyl]-N-(cyclopropylmethyl)-2-methyl-N-propylaniline
CID 63550613
4-[(tert-butylamino)methyl]-2-chloro-N-(3,3-dimethylbutan-2-yl)-N-methylaniline
CID 81143688
N,2-dimethyl-N-(3-methylbutan-2-yl)-4-(propylaminomethyl)aniline
CID 55040116

Frequently Asked Questions

What is the IUPAC name of 4-[(tert-butylamino)methyl]-N,2-dimethyl-N-pentan-2-ylaniline?
The IUPAC name of 4-[(tert-butylamino)methyl]-N,2-dimethyl-N-pentan-2-ylaniline (CID 63550593) is 4-[(tert-butylamino)methyl]-N,2-dimethyl-N-pentan-2-ylaniline.
What is the SMILES notation for 4-[(tert-butylamino)methyl]-N,2-dimethyl-N-pentan-2-ylaniline?
The canonical SMILES for 4-[(tert-butylamino)methyl]-N,2-dimethyl-N-pentan-2-ylaniline is CCCC(C)N(C)c1ccc(CNC(C)(C)C)cc1C.
What is the InChIKey of 4-[(tert-butylamino)methyl]-N,2-dimethyl-N-pentan-2-ylaniline?
The InChIKey is NJOMLRUERYGNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-8-9-15(3)20(7)17-11-10-16(12-14(17)2)13-19-18(4,5)6/h10-12,15,19H,8-9,13H2,1-7H3.
What are the key properties of 4-[(tert-butylamino)methyl]-N,2-dimethyl-N-pentan-2-ylaniline?
4-[(tert-butylamino)methyl]-N,2-dimethyl-N-pentan-2-ylaniline has a molecular weight of 276.47 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(tert-butylamino)methyl]-N,2-dimethyl-N-pentan-2-ylaniline is sourced from PubChem (CID 63550593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).