4-[(tert-butylamino)methyl]-N,N-diethylaniline

C15H26N2 — CID 4719207

IUPAC4-[(tert-butylamino)methyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc(CNC(C)(C)C)cc1
InChIInChI=1S/C15H26N2/c1-6-17(7-2)14-10-8-13(9-11-14)12-16-15(3,4)5/h8-11,16H,6-7,12H2,1-5H3
InChIKeyMOMHYSQQNLFUOW-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.42
Rot. Bonds5

About 4-[(tert-butylamino)methyl]-N,N-diethylaniline

4-[(tert-butylamino)methyl]-N,N-diethylaniline (PubChem CID 4719207) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 4-[(tert-butylamino)methyl]-N,N-diethylaniline.

Molecular Properties

Compound Name4-[(tert-butylamino)methyl]-N,N-diethylaniline
PubChem CID4719207
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name4-[(tert-butylamino)methyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc(CNC(C)(C)C)cc1
InChIInChI=1S/C15H26N2/c1-6-17(7-2)14-10-8-13(9-11-14)12-16-15(3,4)5/h8-11,16H,6-7,12H2,1-5H3
InChIKeyMOMHYSQQNLFUOW-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-[(tert-butylamino)methyl]-N-ethyl-N-propylaniline
CID 55147217
2-[4-[(tert-butylamino)methyl]-N-ethylanilino]acetamide
CID 103103191
N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 22251747
4-[(tert-butylamino)methyl]-N-ethyl-N-(furan-2-ylmethyl)aniline
CID 63060085
4-[(tert-butylamino)methyl]-N-ethyl-N-propan-2-ylaniline
CID 63059473
N,N-diethyl-4-[[(2-methylpropan-2-yl)oxyamino]methyl]aniline
CID 82720600
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
N-[[4-[(tert-butylamino)methyl]phenyl]methyl]thiohydroxylamine
CID 155479405
2-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]propan-2-amine
CID 59597807
2-[4-[(tert-butylamino)methyl]-N-(2,2-difluoroethyl)anilino]ethanol
CID 107481467
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride
CID 70262837
4-[(tert-butylamino)methyl]-N-cyclopropyl-N-propylaniline
CID 63059830

Frequently Asked Questions

What is the IUPAC name of 4-[(tert-butylamino)methyl]-N,N-diethylaniline?
The IUPAC name of 4-[(tert-butylamino)methyl]-N,N-diethylaniline (CID 4719207) is 4-[(tert-butylamino)methyl]-N,N-diethylaniline.
What is the SMILES notation for 4-[(tert-butylamino)methyl]-N,N-diethylaniline?
The canonical SMILES for 4-[(tert-butylamino)methyl]-N,N-diethylaniline is CCN(CC)c1ccc(CNC(C)(C)C)cc1.
What is the InChIKey of 4-[(tert-butylamino)methyl]-N,N-diethylaniline?
The InChIKey is MOMHYSQQNLFUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-6-17(7-2)14-10-8-13(9-11-14)12-16-15(3,4)5/h8-11,16H,6-7,12H2,1-5H3.
What are the key properties of 4-[(tert-butylamino)methyl]-N,N-diethylaniline?
4-[(tert-butylamino)methyl]-N,N-diethylaniline has a molecular weight of 234.39 g/mol, XLogP of 3.42, 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,N-diethylaniline is sourced from PubChem (CID 4719207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).