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

C18H32N2 — CID 63550606

IUPAC4-[(tert-butylamino)methyl]-N,2-dimethyl-N-(3-methylbutyl)aniline
SMILESCc1cc(CNC(C)(C)C)ccc1N(C)CCC(C)C
InChIInChI=1S/C18H32N2/c1-14(2)10-11-20(7)17-9-8-16(12-15(17)3)13-19-18(4,5)6/h8-9,12,14,19H,10-11,13H2,1-7H3
InChIKeyCDTQDIBTDADIGO-UHFFFAOYSA-N
MW276.47 g/mol
LogP4.37
Rot. Bonds6

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

4-[(tert-butylamino)methyl]-N,2-dimethyl-N-(3-methylbutyl)aniline (PubChem CID 63550606) 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-(3-methylbutyl)aniline.

Molecular Properties

Compound Name4-[(tert-butylamino)methyl]-N,2-dimethyl-N-(3-methylbutyl)aniline
PubChem CID63550606
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name4-[(tert-butylamino)methyl]-N,2-dimethyl-N-(3-methylbutyl)aniline
SMILESCc1cc(CNC(C)(C)C)ccc1N(C)CCC(C)C
InChIInChI=1S/C18H32N2/c1-14(2)10-11-20(7)17-9-8-16(12-15(17)3)13-19-18(4,5)6/h8-9,12,14,19H,10-11,13H2,1-7H3
InChIKeyCDTQDIBTDADIGO-UHFFFAOYSA-N
XLogP4.37
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 ≤ 54.37
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-[(tert-butylamino)methyl]-N,2-dimethyl-N-propylaniline
CID 62120667
4-[(tert-butylamino)methyl]-N,2-dimethyl-N-(2-methylsulfonylethyl)aniline
CID 79843635
4-[(tert-butylamino)methyl]-N,2-dimethyl-N-pentan-2-ylaniline
CID 63550593
2-[(tert-butylamino)methyl]-5-chloro-N-methyl-N-(3-methylbutyl)aniline
CID 114848900
4-[(tert-butylamino)methyl]-2,6-difluoro-N-methyl-N-(3-methylbutyl)aniline
CID 63551167
4-[(tert-butylamino)methyl]-N-(furan-3-ylmethyl)-N,2-dimethylaniline
CID 62121037
N'-[4-[(tert-butylamino)methyl]-2-fluorophenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 63700770
N,N,N'-trimethyl-N'-[2-methyl-4-[(2-methylpropylamino)methyl]phenyl]propane-1,3-diamine
CID 63699204
N,2-dimethyl-4-[(2-methylpropylamino)methyl]-N-pentylaniline
CID 63553375
N,2-dimethyl-4-[(2-methylpropylamino)methyl]-N-(2-methylsulfonylethyl)aniline
CID 79843640
2-[4-[(tert-butylamino)methyl]-N-ethyl-2-methylanilino]-N-methylacetamide
CID 62120854
N'-[4-[(tert-butylamino)methyl]-2-fluorophenyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63699739

Frequently Asked Questions

What is the IUPAC name of 4-[(tert-butylamino)methyl]-N,2-dimethyl-N-(3-methylbutyl)aniline?
The IUPAC name of 4-[(tert-butylamino)methyl]-N,2-dimethyl-N-(3-methylbutyl)aniline (CID 63550606) is 4-[(tert-butylamino)methyl]-N,2-dimethyl-N-(3-methylbutyl)aniline.
What is the SMILES notation for 4-[(tert-butylamino)methyl]-N,2-dimethyl-N-(3-methylbutyl)aniline?
The canonical SMILES for 4-[(tert-butylamino)methyl]-N,2-dimethyl-N-(3-methylbutyl)aniline is Cc1cc(CNC(C)(C)C)ccc1N(C)CCC(C)C.
What is the InChIKey of 4-[(tert-butylamino)methyl]-N,2-dimethyl-N-(3-methylbutyl)aniline?
The InChIKey is CDTQDIBTDADIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-14(2)10-11-20(7)17-9-8-16(12-15(17)3)13-19-18(4,5)6/h8-9,12,14,19H,10-11,13H2,1-7H3.
What are the key properties of 4-[(tert-butylamino)methyl]-N,2-dimethyl-N-(3-methylbutyl)aniline?
4-[(tert-butylamino)methyl]-N,2-dimethyl-N-(3-methylbutyl)aniline has a molecular weight of 276.47 g/mol, XLogP of 4.37, 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-(3-methylbutyl)aniline is sourced from PubChem (CID 63550606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).