4-[(tert-butylamino)methyl]-N,3-dimethyl-N-(2-methylbutan-2-yl)aniline

C18H32N2 — CID 63965092

IUPAC4-[(tert-butylamino)methyl]-N,3-dimethyl-N-(2-methylbutan-2-yl)aniline
SMILESCCC(C)(C)N(C)c1ccc(CNC(C)(C)C)c(C)c1
InChIInChI=1S/C18H32N2/c1-9-18(6,7)20(8)16-11-10-15(14(2)12-16)13-19-17(3,4)5/h10-12,19H,9,13H2,1-8H3
InChIKeySLEVCAKAWUJKTQ-UHFFFAOYSA-N
MW276.47 g/mol
LogP4.51
Rot. Bonds5

About 4-[(tert-butylamino)methyl]-N,3-dimethyl-N-(2-methylbutan-2-yl)aniline

4-[(tert-butylamino)methyl]-N,3-dimethyl-N-(2-methylbutan-2-yl)aniline (PubChem CID 63965092) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 4-[(tert-butylamino)methyl]-N,3-dimethyl-N-(2-methylbutan-2-yl)aniline.

Molecular Properties

Compound Name4-[(tert-butylamino)methyl]-N,3-dimethyl-N-(2-methylbutan-2-yl)aniline
PubChem CID63965092
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name4-[(tert-butylamino)methyl]-N,3-dimethyl-N-(2-methylbutan-2-yl)aniline
SMILESCCC(C)(C)N(C)c1ccc(CNC(C)(C)C)c(C)c1
InChIInChI=1S/C18H32N2/c1-9-18(6,7)20(8)16-11-10-15(14(2)12-16)13-19-17(3,4)5/h10-12,19H,9,13H2,1-8H3
InChIKeySLEVCAKAWUJKTQ-UHFFFAOYSA-N
XLogP4.51
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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'}

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Related Compounds

4-(aminomethyl)-N,3-dimethyl-N-(2-methylbutan-2-yl)aniline
CID 63965313
4-(bromomethyl)-N,3-dimethyl-N-(2-methylbutan-2-yl)aniline
CID 107083824
4-[(tert-butylamino)methyl]-N-ethyl-3-methyl-N-propylaniline
CID 62135693
4-[(tert-butylamino)methyl]-N,3-dimethyl-N-(3-methylbutan-2-yl)aniline
CID 63551530
N-[(2,4-dimethylphenyl)methyl]-2-methylpropan-2-amine
CID 16774947
2-methyl-4-[methyl(2-methylbutan-2-yl)amino]benzenecarbothioamide
CID 81277988
2-methyl-4-[methyl(2-methylbutan-2-yl)amino]benzonitrile
CID 81281924
N,N,3-trimethyl-4-(methylaminomethyl)aniline
CID 62135688
3-N-(4-ethoxy-3-methylphenyl)-3-N,3-dimethylbutane-1,3-diamine
CID 115134578
N-[(4-chloro-2-methylphenyl)methyl]-2-methylbutan-2-amine
CID 104854099
2-[(tert-butylamino)methyl]-N-methyl-N-phenylaniline
CID 63060146
2-[1-(ethylamino)ethyl]-5-[methyl(2-methylbutan-2-yl)amino]phenol
CID 79603823

Frequently Asked Questions

What is the IUPAC name of 4-[(tert-butylamino)methyl]-N,3-dimethyl-N-(2-methylbutan-2-yl)aniline?
The IUPAC name of 4-[(tert-butylamino)methyl]-N,3-dimethyl-N-(2-methylbutan-2-yl)aniline (CID 63965092) is 4-[(tert-butylamino)methyl]-N,3-dimethyl-N-(2-methylbutan-2-yl)aniline.
What is the SMILES notation for 4-[(tert-butylamino)methyl]-N,3-dimethyl-N-(2-methylbutan-2-yl)aniline?
The canonical SMILES for 4-[(tert-butylamino)methyl]-N,3-dimethyl-N-(2-methylbutan-2-yl)aniline is CCC(C)(C)N(C)c1ccc(CNC(C)(C)C)c(C)c1.
What is the InChIKey of 4-[(tert-butylamino)methyl]-N,3-dimethyl-N-(2-methylbutan-2-yl)aniline?
The InChIKey is SLEVCAKAWUJKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-9-18(6,7)20(8)16-11-10-15(14(2)12-16)13-19-17(3,4)5/h10-12,19H,9,13H2,1-8H3.
What are the key properties of 4-[(tert-butylamino)methyl]-N,3-dimethyl-N-(2-methylbutan-2-yl)aniline?
4-[(tert-butylamino)methyl]-N,3-dimethyl-N-(2-methylbutan-2-yl)aniline has a molecular weight of 276.47 g/mol, XLogP of 4.51, 5 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,3-dimethyl-N-(2-methylbutan-2-yl)aniline is sourced from PubChem (CID 63965092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).