N,N-dimethyl-4-[1-[(6-methyl-3-pyridinyl)methylamino]ethyl]aniline

C17H23N3 — CID 62996331

IUPACN,N-dimethyl-4-[1-[(6-methyl-3-pyridinyl)methylamino]ethyl]aniline
SMILESCc1ccc(CNC(C)c2ccc(N(C)C)cc2)cn1
InChIInChI=1S/C17H23N3/c1-13-5-6-15(11-18-13)12-19-14(2)16-7-9-17(10-8-16)20(3)4/h5-11,14,19H,12H2,1-4H3
InChIKeyYTDCQPDZJMVJOB-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.31
Rot. Bonds5

About N,N-dimethyl-4-[1-[(6-methyl-3-pyridinyl)methylamino]ethyl]aniline

N,N-dimethyl-4-[1-[(6-methyl-3-pyridinyl)methylamino]ethyl]aniline (PubChem CID 62996331) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N,N-dimethyl-4-[1-[(6-methyl-3-pyridinyl)methylamino]ethyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[1-[(6-methyl-3-pyridinyl)methylamino]ethyl]aniline
PubChem CID62996331
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN,N-dimethyl-4-[1-[(6-methyl-3-pyridinyl)methylamino]ethyl]aniline
SMILESCc1ccc(CNC(C)c2ccc(N(C)C)cc2)cn1
InChIInChI=1S/C17H23N3/c1-13-5-6-15(11-18-13)12-19-14(2)16-7-9-17(10-8-16)20(3)4/h5-11,14,19H,12H2,1-4H3
InChIKeyYTDCQPDZJMVJOB-UHFFFAOYSA-N
XLogP3.31
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-[(6-methyl-3-pyridinyl)methyl]-1-(4-nitrophenyl)ethanamine
CID 62995614
N,N-dimethyl-4-[[[(1S)-1-phenylethyl]amino]methyl]aniline
CID 961203
(1S)-1-(3-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 104756791
N,N-dimethyl-4-[1-[(3-methyl-2-pyridinyl)methylamino]ethyl]aniline
CID 63305834
1-(5-methyl-1,3-oxazol-2-yl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 113347384
N-[(6-methyl-3-pyridinyl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104753454
1-N-ethyl-1-N-methyl-2-N-[(6-methyl-3-pyridinyl)methyl]propane-1,2-diamine
CID 103109827
2-[(6-methyl-3-pyridinyl)methylamino]propan-1-ol
CID 89305217
1-(2-chlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 55139743
1-(2-fluorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 62997398
N,N-dimethyl-4-[(6-methyl-3-pyridinyl)-(propylamino)methyl]aniline
CID 105146242
N-[(6-methyl-3-pyridinyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 115879051

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[1-[(6-methyl-3-pyridinyl)methylamino]ethyl]aniline?
The IUPAC name of N,N-dimethyl-4-[1-[(6-methyl-3-pyridinyl)methylamino]ethyl]aniline (CID 62996331) is N,N-dimethyl-4-[1-[(6-methyl-3-pyridinyl)methylamino]ethyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[1-[(6-methyl-3-pyridinyl)methylamino]ethyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[1-[(6-methyl-3-pyridinyl)methylamino]ethyl]aniline is Cc1ccc(CNC(C)c2ccc(N(C)C)cc2)cn1.
What is the InChIKey of N,N-dimethyl-4-[1-[(6-methyl-3-pyridinyl)methylamino]ethyl]aniline?
The InChIKey is YTDCQPDZJMVJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-13-5-6-15(11-18-13)12-19-14(2)16-7-9-17(10-8-16)20(3)4/h5-11,14,19H,12H2,1-4H3.
What are the key properties of N,N-dimethyl-4-[1-[(6-methyl-3-pyridinyl)methylamino]ethyl]aniline?
N,N-dimethyl-4-[1-[(6-methyl-3-pyridinyl)methylamino]ethyl]aniline has a molecular weight of 269.39 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[1-[(6-methyl-3-pyridinyl)methylamino]ethyl]aniline is sourced from PubChem (CID 62996331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).