N-(2,2-dimethylpropyl)-4-(ethylaminomethyl)-N,2-dimethylaniline

C16H28N2 — CID 62122953

IUPACN-(2,2-dimethylpropyl)-4-(ethylaminomethyl)-N,2-dimethylaniline
SMILESCCNCc1ccc(N(C)CC(C)(C)C)c(C)c1
InChIInChI=1S/C16H28N2/c1-7-17-11-14-8-9-15(13(2)10-14)18(6)12-16(3,4)5/h8-10,17H,7,11-12H2,1-6H3
InChIKeyLMJRRYBTSVITKR-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.59
Rot. Bonds5

About N-(2,2-dimethylpropyl)-4-(ethylaminomethyl)-N,2-dimethylaniline

N-(2,2-dimethylpropyl)-4-(ethylaminomethyl)-N,2-dimethylaniline (PubChem CID 62122953) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-4-(ethylaminomethyl)-N,2-dimethylaniline.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-4-(ethylaminomethyl)-N,2-dimethylaniline
PubChem CID62122953
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN-(2,2-dimethylpropyl)-4-(ethylaminomethyl)-N,2-dimethylaniline
SMILESCCNCc1ccc(N(C)CC(C)(C)C)c(C)c1
InChIInChI=1S/C16H28N2/c1-7-17-11-14-8-9-15(13(2)10-14)18(6)12-16(3,4)5/h8-10,17H,7,11-12H2,1-6H3
InChIKeyLMJRRYBTSVITKR-UHFFFAOYSA-N
XLogP3.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.59
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

N,N-diethyl-2-[4-(ethylaminomethyl)-N,2-dimethylanilino]acetamide
CID 62124186
N-butan-2-yl-4-(ethylaminomethyl)-N,2-dimethylaniline
CID 62121015
4-(ethylaminomethyl)-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]aniline
CID 62121534
N-ethyl-N,2-dimethyl-4-(propylaminomethyl)aniline
CID 62119969
4-[2,2-dimethylpropyl(methyl)amino]-3-methylbenzoic acid
CID 62122006
2-[4-(ethylaminomethyl)-2-methyl-N-(2,2,2-trifluoroethyl)anilino]ethanol
CID 107481554
1-[4-(hydroxymethyl)-N,2-dimethylanilino]-2-methylpropan-2-ol
CID 79387346
4-(ethylaminomethyl)-N,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline
CID 63273977
N'-(2,4-dimethylphenyl)-N-ethyl-N',2,2-trimethylpropane-1,3-diamine
CID 62260646
4-[(tert-butylamino)methyl]-N,2-dimethyl-N-propylaniline
CID 62120667
2-N-ethyl-2-N-[4-(ethylaminomethyl)-2-methylphenyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 103190030
N-ethyl-4-(ethylaminomethyl)-2-methyl-N-(4-methylphenyl)aniline
CID 63551214

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-4-(ethylaminomethyl)-N,2-dimethylaniline?
The IUPAC name of N-(2,2-dimethylpropyl)-4-(ethylaminomethyl)-N,2-dimethylaniline (CID 62122953) is N-(2,2-dimethylpropyl)-4-(ethylaminomethyl)-N,2-dimethylaniline.
What is the SMILES notation for N-(2,2-dimethylpropyl)-4-(ethylaminomethyl)-N,2-dimethylaniline?
The canonical SMILES for N-(2,2-dimethylpropyl)-4-(ethylaminomethyl)-N,2-dimethylaniline is CCNCc1ccc(N(C)CC(C)(C)C)c(C)c1.
What is the InChIKey of N-(2,2-dimethylpropyl)-4-(ethylaminomethyl)-N,2-dimethylaniline?
The InChIKey is LMJRRYBTSVITKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-7-17-11-14-8-9-15(13(2)10-14)18(6)12-16(3,4)5/h8-10,17H,7,11-12H2,1-6H3.
What are the key properties of N-(2,2-dimethylpropyl)-4-(ethylaminomethyl)-N,2-dimethylaniline?
N-(2,2-dimethylpropyl)-4-(ethylaminomethyl)-N,2-dimethylaniline has a molecular weight of 248.41 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-4-(ethylaminomethyl)-N,2-dimethylaniline is sourced from PubChem (CID 62122953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).