N,2-dimethyl-4-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)aniline

C14H24N2S — CID 112662365

IUPACN,2-dimethyl-4-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)aniline
SMILESCNCc1ccc(N(C)C(C)CSC)c(C)c1
InChIInChI=1S/C14H24N2S/c1-11-8-13(9-15-3)6-7-14(11)16(4)12(2)10-17-5/h6-8,12,15H,9-10H2,1-5H3
InChIKeyNZZSADYWRLRUQC-UHFFFAOYSA-N
MW252.43 g/mol
LogP2.90
Rot. Bonds6

About N,2-dimethyl-4-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)aniline

N,2-dimethyl-4-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)aniline (PubChem CID 112662365) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is N,2-dimethyl-4-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)aniline.

Molecular Properties

Compound NameN,2-dimethyl-4-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)aniline
PubChem CID112662365
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC NameN,2-dimethyl-4-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)aniline
SMILESCNCc1ccc(N(C)C(C)CSC)c(C)c1
InChIInChI=1S/C14H24N2S/c1-11-8-13(9-15-3)6-7-14(11)16(4)12(2)10-17-5/h6-8,12,15H,9-10H2,1-5H3
InChIKeyNZZSADYWRLRUQC-UHFFFAOYSA-N
XLogP2.90
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,2-dimethyl-4-(methylaminomethyl)-N-pentan-3-ylaniline
CID 62119982
N,2-dimethyl-4-(methylaminomethyl)-N-(2-methylsulfanylethyl)aniline
CID 112662210
N-butan-2-yl-4-(ethylaminomethyl)-N,2-dimethylaniline
CID 62121015
N-butan-2-yl-N-ethyl-2-methyl-4-(methylaminomethyl)aniline
CID 62121532
N-butan-2-yl-2-chloro-N-methyl-4-(methylaminomethyl)aniline
CID 81148692
N-methyl-4-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)pyridin-3-amine
CID 105074392
N-methyl-N-[[3-(methylaminomethyl)phenyl]methyl]-1-methylsulfanylpropan-2-amine
CID 112665980
4-[(tert-butylamino)methyl]-N,2-dimethyl-N-pentan-2-ylaniline
CID 63550593
4-(bromomethyl)-N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)aniline
CID 107084998
2-[N-ethyl-2-methyl-4-(methylaminomethyl)anilino]-N,N-dimethylacetamide
CID 62120856
N-methyl-1-[3-methyl-4-(2-methylpropylsulfanyl)phenyl]methanamine
CID 63805331
N,2-dimethyl-4-(methylaminomethyl)-N-(4-methylcyclohexyl)aniline
CID 62122416

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-4-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)aniline?
The IUPAC name of N,2-dimethyl-4-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)aniline (CID 112662365) is N,2-dimethyl-4-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)aniline.
What is the SMILES notation for N,2-dimethyl-4-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)aniline?
The canonical SMILES for N,2-dimethyl-4-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)aniline is CNCc1ccc(N(C)C(C)CSC)c(C)c1.
What is the InChIKey of N,2-dimethyl-4-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)aniline?
The InChIKey is NZZSADYWRLRUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-11-8-13(9-15-3)6-7-14(11)16(4)12(2)10-17-5/h6-8,12,15H,9-10H2,1-5H3.
What are the key properties of N,2-dimethyl-4-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)aniline?
N,2-dimethyl-4-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)aniline has a molecular weight of 252.43 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-4-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)aniline is sourced from PubChem (CID 112662365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).