N-[(2-ethylidene-5-methyl-4-methylidenethiopyran-3-ylidene)methyl]butan-1-imine

C14H19NS — CID 90711999

IUPACN-[(2-ethylidene-5-methyl-4-methylidenethiopyran-3-ylidene)methyl]butan-1-imine
SMILESC=C1C(C)=CSC(=CC)C1=C/N=C/CCC
InChIInChI=1S/C14H19NS/c1-5-7-8-15-9-13-12(4)11(3)10-16-14(13)6-2/h6,8-10H,4-5,7H2,1-3H3/b13-9?,14-6?,15-8+
InChIKeyYDLXBAICXFTNPV-BWYFOOHOSA-N
MW233.38 g/mol
LogP4.85
Rot. Bonds3

About N-[(2-ethylidene-5-methyl-4-methylidenethiopyran-3-ylidene)methyl]butan-1-imine

N-[(2-ethylidene-5-methyl-4-methylidenethiopyran-3-ylidene)methyl]butan-1-imine (PubChem CID 90711999) has the molecular formula C14H19NS and a molecular weight of 233.38 g/mol. Its IUPAC name is N-[(2-ethylidene-5-methyl-4-methylidenethiopyran-3-ylidene)methyl]butan-1-imine.

Molecular Properties

Compound NameN-[(2-ethylidene-5-methyl-4-methylidenethiopyran-3-ylidene)methyl]butan-1-imine
PubChem CID90711999
Molecular FormulaC14H19NS
Molecular Weight233.38 g/mol
Exact Mass233.12
IUPAC NameN-[(2-ethylidene-5-methyl-4-methylidenethiopyran-3-ylidene)methyl]butan-1-imine
SMILESC=C1C(C)=CSC(=CC)C1=C/N=C/CCC
InChIInChI=1S/C14H19NS/c1-5-7-8-15-9-13-12(4)11(3)10-16-14(13)6-2/h6,8-10H,4-5,7H2,1-3H3/b13-9?,14-6?,15-8+
InChIKeyYDLXBAICXFTNPV-BWYFOOHOSA-N
XLogP4.85
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(Cyclohexen-1-yl)-1,4-thiazepine
CID 68637312
N-[(2-ethylidene-6-methyl-4,5-dihydrothiepin-3-ylidene)methyl]ethanimine
CID 91202018
N-[(E,3Z)-3-(3-methylsulfanylpropylidene)non-1-enyl]ethanimine
CID 123854441
2-(3,6-dihydro-2H-thiopyran-4-yl)-N-methylbut-2-en-1-imine
CID 124030985
ethane;(Z)-N-(6-propyl-2,3-dihydrothiepin-7-yl)propan-1-imine
CID 141789675
(E)-N-ethenyl-3-[(1E,3Z,5Z)-4-methylhepta-1,3,5-trienyl]sulfanylbut-2-en-1-imine
CID 141955722
ethane;ethene;4-methyl-3,4-dihydropyridine;(3E)-4-methyl-5-methylsulfanylpenta-1,3-diene
CID 142226073
N-[(1Z,3E)-2-(cyclohepta-1,3,5,6-tetraen-1-ylsulfanylmethyl)-3-ethenyl-7-methyl-5-methylideneocta-1,3,6-trienyl]ethanimine
CID 167219589
(E)-2-[1-[(1E)-2,4-dimethylpenta-1,4-dienyl]sulfanylethenyl]-N-methylbut-2-en-1-imine
CID 169855348
butyl-dimethyl-[2-[(6Z)-4-methylazocin-3-yl]ethyl]-lambda4-sulfane
CID 174027827
5-[(2Z,4E,6Z)-5,6-dimethyl-7-(3-methylidene-4H-thiopyran-4-yl)-2-methylsulfanylhepta-2,4,6-trien-3-yl]-4-methylidene-3H-pyridine
CID 174109603
2,4-Dihydrothieno[2,3-c]pyridine
CID 176163637

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylidene-5-methyl-4-methylidenethiopyran-3-ylidene)methyl]butan-1-imine?
The IUPAC name of N-[(2-ethylidene-5-methyl-4-methylidenethiopyran-3-ylidene)methyl]butan-1-imine (CID 90711999) is N-[(2-ethylidene-5-methyl-4-methylidenethiopyran-3-ylidene)methyl]butan-1-imine.
What is the SMILES notation for N-[(2-ethylidene-5-methyl-4-methylidenethiopyran-3-ylidene)methyl]butan-1-imine?
The canonical SMILES for N-[(2-ethylidene-5-methyl-4-methylidenethiopyran-3-ylidene)methyl]butan-1-imine is C=C1C(C)=CSC(=CC)C1=C/N=C/CCC.
What is the InChIKey of N-[(2-ethylidene-5-methyl-4-methylidenethiopyran-3-ylidene)methyl]butan-1-imine?
The InChIKey is YDLXBAICXFTNPV-BWYFOOHOSA-N. The full InChI is InChI=1S/C14H19NS/c1-5-7-8-15-9-13-12(4)11(3)10-16-14(13)6-2/h6,8-10H,4-5,7H2,1-3H3/b13-9?,14-6?,15-8+.
What are the key properties of N-[(2-ethylidene-5-methyl-4-methylidenethiopyran-3-ylidene)methyl]butan-1-imine?
N-[(2-ethylidene-5-methyl-4-methylidenethiopyran-3-ylidene)methyl]butan-1-imine has a molecular weight of 233.38 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylidene-5-methyl-4-methylidenethiopyran-3-ylidene)methyl]butan-1-imine is sourced from PubChem (CID 90711999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).