(2E)-2-butylidene-5-methyl-1-[(E)-2-methylsulfanylprop-1-enyl]pyridine

C14H21NS — CID 129124763

IUPAC(2E)-2-butylidene-5-methyl-1-[(E)-2-methylsulfanylprop-1-enyl]pyridine
SMILESCCC/C=C1\C=CC(C)=CN1/C=C(\C)SC
InChIInChI=1S/C14H21NS/c1-5-6-7-14-9-8-12(2)10-15(14)11-13(3)16-4/h7-11H,5-6H2,1-4H3/b13-11+,14-7+
InChIKeyPJKRFALHICVLOY-HJMDYMEPSA-N
MW235.40 g/mol
LogP4.67
Rot. Bonds4

About (2E)-2-butylidene-5-methyl-1-[(E)-2-methylsulfanylprop-1-enyl]pyridine

(2E)-2-butylidene-5-methyl-1-[(E)-2-methylsulfanylprop-1-enyl]pyridine (PubChem CID 129124763) has the molecular formula C14H21NS and a molecular weight of 235.40 g/mol. Its IUPAC name is (2E)-2-butylidene-5-methyl-1-[(E)-2-methylsulfanylprop-1-enyl]pyridine.

Molecular Properties

Compound Name(2E)-2-butylidene-5-methyl-1-[(E)-2-methylsulfanylprop-1-enyl]pyridine
PubChem CID129124763
Molecular FormulaC14H21NS
Molecular Weight235.40 g/mol
Exact Mass235.14
IUPAC Name(2E)-2-butylidene-5-methyl-1-[(E)-2-methylsulfanylprop-1-enyl]pyridine
SMILESCCC/C=C1\C=CC(C)=CN1/C=C(\C)SC
InChIInChI=1S/C14H21NS/c1-5-6-7-14-9-8-12(2)10-15(14)11-13(3)16-4/h7-11H,5-6H2,1-4H3/b13-11+,14-7+
InChIKeyPJKRFALHICVLOY-HJMDYMEPSA-N
XLogP4.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.40
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5Z)-2-cyclohexa-2,5-dien-1-ylidene-1-(2-ethylsulfanylethyl)-5-(ethylsulfanylmethylidene)pyrrole
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6-Thia-1-azatricyclo[7.3.1.05,13]trideca-2,4,7,9(13),11-pentaene
CID 88196869
(2E)-2-ethylidene-5-methyl-1-[(Z)-2-methylbut-1-enyl]pyridine
CID 89364024
2-hexa-2,4-dien-2-yl-1,5-dimethyl-4H-pyridine
CID 91138583
1,5-Dimethyl-2-methylidenepyridine;ethane
CID 91398680
(2E,4Z,6E)-8-propyl-10,11-dihydro-1,8-benzothiazecine
CID 117717485
(4S)-N,N-dimethyl-4-methylsulfanylcyclohexa-1,5-dien-1-amine
CID 118891671
1-methyl-4-(1-methylsulfanylprop-1-en-2-yl)-2H-pyridine
CID 123247152
8-Propyl-10,11-dihydro-1,8-benzothiazecine
CID 123534628
N,N-dimethyl-1-(6-methylsulfanylcyclohepta-1,4,6-trien-1-yl)ethenamine
CID 129060229
N-[(1Z,3Z,6E)-6-methyl-5-methylideneocta-1,3,6-trienyl]-N-[(E)-prop-1-enyl]cyclohexa-1,5-dien-1-amine
CID 129109409
[(6E)-6-butylidene-1-[(E)-2-methylsulfanylprop-1-enyl]-3-pyridinyl]-methylphosphane
CID 129124893

Frequently Asked Questions

What is the IUPAC name of (2E)-2-butylidene-5-methyl-1-[(E)-2-methylsulfanylprop-1-enyl]pyridine?
The IUPAC name of (2E)-2-butylidene-5-methyl-1-[(E)-2-methylsulfanylprop-1-enyl]pyridine (CID 129124763) is (2E)-2-butylidene-5-methyl-1-[(E)-2-methylsulfanylprop-1-enyl]pyridine.
What is the SMILES notation for (2E)-2-butylidene-5-methyl-1-[(E)-2-methylsulfanylprop-1-enyl]pyridine?
The canonical SMILES for (2E)-2-butylidene-5-methyl-1-[(E)-2-methylsulfanylprop-1-enyl]pyridine is CCC/C=C1\C=CC(C)=CN1/C=C(\C)SC.
What is the InChIKey of (2E)-2-butylidene-5-methyl-1-[(E)-2-methylsulfanylprop-1-enyl]pyridine?
The InChIKey is PJKRFALHICVLOY-HJMDYMEPSA-N. The full InChI is InChI=1S/C14H21NS/c1-5-6-7-14-9-8-12(2)10-15(14)11-13(3)16-4/h7-11H,5-6H2,1-4H3/b13-11+,14-7+.
What are the key properties of (2E)-2-butylidene-5-methyl-1-[(E)-2-methylsulfanylprop-1-enyl]pyridine?
(2E)-2-butylidene-5-methyl-1-[(E)-2-methylsulfanylprop-1-enyl]pyridine has a molecular weight of 235.40 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-butylidene-5-methyl-1-[(E)-2-methylsulfanylprop-1-enyl]pyridine is sourced from PubChem (CID 129124763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).