N-[[5-ethyl-2-(methylideneamino)phenyl]sulfanylmethyl]-N-methyl-1-pyridin-3-ylmethanamine

C17H21N3S — CID 162380202

IUPACN-[[5-ethyl-2-(methylideneamino)phenyl]sulfanylmethyl]-N-methyl-1-pyridin-3-ylmethanamine
SMILESC=Nc1ccc(CC)cc1SCN(C)Cc1cccnc1
InChIInChI=1S/C17H21N3S/c1-4-14-7-8-16(18-2)17(10-14)21-13-20(3)12-15-6-5-9-19-11-15/h5-11H,2,4,12-13H2,1,3H3
InChIKeyITTMURVEXLMTPO-UHFFFAOYSA-N
MW299.44 g/mol
LogP4.16
Rot. Bonds7

About N-[[5-ethyl-2-(methylideneamino)phenyl]sulfanylmethyl]-N-methyl-1-pyridin-3-ylmethanamine

N-[[5-ethyl-2-(methylideneamino)phenyl]sulfanylmethyl]-N-methyl-1-pyridin-3-ylmethanamine (PubChem CID 162380202) has the molecular formula C17H21N3S and a molecular weight of 299.44 g/mol. Its IUPAC name is N-[[5-ethyl-2-(methylideneamino)phenyl]sulfanylmethyl]-N-methyl-1-pyridin-3-ylmethanamine.

Molecular Properties

Compound NameN-[[5-ethyl-2-(methylideneamino)phenyl]sulfanylmethyl]-N-methyl-1-pyridin-3-ylmethanamine
PubChem CID162380202
Molecular FormulaC17H21N3S
Molecular Weight299.44 g/mol
Exact Mass299.15
IUPAC NameN-[[5-ethyl-2-(methylideneamino)phenyl]sulfanylmethyl]-N-methyl-1-pyridin-3-ylmethanamine
SMILESC=Nc1ccc(CC)cc1SCN(C)Cc1cccnc1
InChIInChI=1S/C17H21N3S/c1-4-14-7-8-16(18-2)17(10-14)21-13-20(3)12-15-6-5-9-19-11-15/h5-11H,2,4,12-13H2,1,3H3
InChIKeyITTMURVEXLMTPO-UHFFFAOYSA-N
XLogP4.16
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[[5-ethyl-2-(methylideneamino)phenyl]sulfanylmethyl]-N-methyl-1-pyridin-3-ylmethanamine with MolForge

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Related Compounds

3-ethylpyridine
CID 10823
3-N-methyl-3-N-(pyridin-3-ylmethyl)propane-1,2,3-triamine
CID 115119904
1-(4-butylphenyl)-N-methyl-N-(pyridin-3-ylmethyl)methanamine
CID 173272882
1-N,2-N-dimethyl-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine
CID 62432857
N-ethyl-2-[4-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]ethanamine
CID 105347063
2,2-diethoxy-N-methyl-N-(pyridin-3-ylmethyl)ethanamine
CID 55247242
N'-methyl-1-(4-methylphenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 43563325
[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]methanamine
CID 43248750
1-(3-methoxyphenyl)-N'-methyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 43563312
N,5-dimethyl-N-(pyridin-3-ylmethyl)hexan-1-amine
CID 59176505
2-ethyl-1-N-methyl-1-N-(pyridin-3-ylmethyl)butane-1,2-diamine
CID 79813886
2-methyl-1-[methyl(pyridin-3-ylmethyl)amino]butan-2-ol
CID 114495365

Frequently Asked Questions

What is the IUPAC name of N-[[5-ethyl-2-(methylideneamino)phenyl]sulfanylmethyl]-N-methyl-1-pyridin-3-ylmethanamine?
The IUPAC name of N-[[5-ethyl-2-(methylideneamino)phenyl]sulfanylmethyl]-N-methyl-1-pyridin-3-ylmethanamine (CID 162380202) is N-[[5-ethyl-2-(methylideneamino)phenyl]sulfanylmethyl]-N-methyl-1-pyridin-3-ylmethanamine.
What is the SMILES notation for N-[[5-ethyl-2-(methylideneamino)phenyl]sulfanylmethyl]-N-methyl-1-pyridin-3-ylmethanamine?
The canonical SMILES for N-[[5-ethyl-2-(methylideneamino)phenyl]sulfanylmethyl]-N-methyl-1-pyridin-3-ylmethanamine is C=Nc1ccc(CC)cc1SCN(C)Cc1cccnc1.
What is the InChIKey of N-[[5-ethyl-2-(methylideneamino)phenyl]sulfanylmethyl]-N-methyl-1-pyridin-3-ylmethanamine?
The InChIKey is ITTMURVEXLMTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3S/c1-4-14-7-8-16(18-2)17(10-14)21-13-20(3)12-15-6-5-9-19-11-15/h5-11H,2,4,12-13H2,1,3H3.
What are the key properties of N-[[5-ethyl-2-(methylideneamino)phenyl]sulfanylmethyl]-N-methyl-1-pyridin-3-ylmethanamine?
N-[[5-ethyl-2-(methylideneamino)phenyl]sulfanylmethyl]-N-methyl-1-pyridin-3-ylmethanamine has a molecular weight of 299.44 g/mol, XLogP of 4.16, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-ethyl-2-(methylideneamino)phenyl]sulfanylmethyl]-N-methyl-1-pyridin-3-ylmethanamine is sourced from PubChem (CID 162380202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).