N-[(E)-4-(pentamethyl-λ6-sulfanyl)but-3-enyl]-1-pyridin-3-ylmethanimine

C15H26N2S — CID 166917905

IUPACN-[(E)-4-(pentamethyl-λ6-sulfanyl)but-3-enyl]-1-pyridin-3-ylmethanimine
SMILESCS(C)(C)(C)(C)/C=C/CC/N=C/c1cccnc1
InChIInChI=1S/C15H26N2S/c1-18(2,3,4,5)12-7-6-10-16-13-15-9-8-11-17-14-15/h7-9,11-14H,6,10H2,1-5H3/b12-7+,16-13+
InChIKeyATMSXFPXOQYQTO-WTHIONNESA-N
MW266.45 g/mol
LogP3.43
Rot. Bonds5

About N-[(E)-4-(pentamethyl-λ6-sulfanyl)but-3-enyl]-1-pyridin-3-ylmethanimine

N-[(E)-4-(pentamethyl-λ6-sulfanyl)but-3-enyl]-1-pyridin-3-ylmethanimine (PubChem CID 166917905) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is N-[(E)-4-(pentamethyl-λ6-sulfanyl)but-3-enyl]-1-pyridin-3-ylmethanimine.

Molecular Properties

Compound NameN-[(E)-4-(pentamethyl-λ6-sulfanyl)but-3-enyl]-1-pyridin-3-ylmethanimine
PubChem CID166917905
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC NameN-[(E)-4-(pentamethyl-λ6-sulfanyl)but-3-enyl]-1-pyridin-3-ylmethanimine
SMILESCS(C)(C)(C)(C)/C=C/CC/N=C/c1cccnc1
InChIInChI=1S/C15H26N2S/c1-18(2,3,4,5)12-7-6-10-16-13-15-9-8-11-17-14-15/h7-9,11-14H,6,10H2,1-5H3/b12-7+,16-13+
InChIKeyATMSXFPXOQYQTO-WTHIONNESA-N
XLogP3.43
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(pyridin-3-ylmethylideneamino)-N,N-bis[2-(pyridin-3-ylmethylideneamino)ethyl]ethanamine
CID 69234303
N-(2-methylprop-2-enyl)-1-pyridin-3-ylmethanimine
CID 142604700
2-(pyridin-3-ylmethylideneamino)acetic acid
CID 45082526
1-(4-methylphenyl)-2-(pyridin-3-ylmethylideneamino)ethanone
CID 160987415
N-[2-methyl-4-[3-methyl-4-(pyridin-3-ylmethylideneamino)phenyl]phenyl]-1-pyridin-3-ylmethanimine
CID 1048779
N-[[(2S)-oxolan-2-yl]methyl]-1-pyridin-3-ylmethanimine
CID 2311431
3-[(E)-2-pyridin-3-ylethenyl]pyridine;zinc
CID 175746701
(Z)-N-(3-methylbutoxy)-1-pyridin-3-ylmethanimine
CID 5355487
3-oct-1-enylpyridine
CID 67243858
4-methyl-N-(pyridin-3-ylmethylideneamino)aniline
CID 5175441
1-pyridin-3-yl-N-(1,2,4-triazol-4-yl)methanimine
CID 660525
3-[(1E,3E)-penta-1,3-dienyl]pyridine
CID 173222237

Frequently Asked Questions

What is the IUPAC name of N-[(E)-4-(pentamethyl-λ6-sulfanyl)but-3-enyl]-1-pyridin-3-ylmethanimine?
The IUPAC name of N-[(E)-4-(pentamethyl-λ6-sulfanyl)but-3-enyl]-1-pyridin-3-ylmethanimine (CID 166917905) is N-[(E)-4-(pentamethyl-λ6-sulfanyl)but-3-enyl]-1-pyridin-3-ylmethanimine.
What is the SMILES notation for N-[(E)-4-(pentamethyl-λ6-sulfanyl)but-3-enyl]-1-pyridin-3-ylmethanimine?
The canonical SMILES for N-[(E)-4-(pentamethyl-λ6-sulfanyl)but-3-enyl]-1-pyridin-3-ylmethanimine is CS(C)(C)(C)(C)/C=C/CC/N=C/c1cccnc1.
What is the InChIKey of N-[(E)-4-(pentamethyl-λ6-sulfanyl)but-3-enyl]-1-pyridin-3-ylmethanimine?
The InChIKey is ATMSXFPXOQYQTO-WTHIONNESA-N. The full InChI is InChI=1S/C15H26N2S/c1-18(2,3,4,5)12-7-6-10-16-13-15-9-8-11-17-14-15/h7-9,11-14H,6,10H2,1-5H3/b12-7+,16-13+.
What are the key properties of N-[(E)-4-(pentamethyl-λ6-sulfanyl)but-3-enyl]-1-pyridin-3-ylmethanimine?
N-[(E)-4-(pentamethyl-λ6-sulfanyl)but-3-enyl]-1-pyridin-3-ylmethanimine has a molecular weight of 266.45 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-4-(pentamethyl-λ6-sulfanyl)but-3-enyl]-1-pyridin-3-ylmethanimine is sourced from PubChem (CID 166917905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).