N,5-dimethyl-2-propan-2-ylidenethiophen-3-imine;ethane

C11H19NS — CID 143858138

IUPACN,5-dimethyl-2-propan-2-ylidenethiophen-3-imine;ethane
SMILESC/N=C1\C=C(C)SC1=C(C)C.CC
InChIInChI=1S/C9H13NS.C2H6/c1-6(2)9-8(10-4)5-7(3)11-9;1-2/h5H,1-4H3;1-2H3/b10-8+;
InChIKeyPEJIJUSMGKTBPK-VRTOBVRTSA-N
MW197.35 g/mol
LogP4.03
Rot. Bonds

About N,5-dimethyl-2-propan-2-ylidenethiophen-3-imine;ethane

N,5-dimethyl-2-propan-2-ylidenethiophen-3-imine;ethane (PubChem CID 143858138) has the molecular formula C11H19NS and a molecular weight of 197.35 g/mol. Its IUPAC name is N,5-dimethyl-2-propan-2-ylidenethiophen-3-imine;ethane.

Molecular Properties

Compound NameN,5-dimethyl-2-propan-2-ylidenethiophen-3-imine;ethane
PubChem CID143858138
Molecular FormulaC11H19NS
Molecular Weight197.35 g/mol
Exact Mass197.12
IUPAC NameN,5-dimethyl-2-propan-2-ylidenethiophen-3-imine;ethane
SMILESC/N=C1\C=C(C)SC1=C(C)C.CC
InChIInChI=1S/C9H13NS.C2H6/c1-6(2)9-8(10-4)5-7(3)11-9;1-2/h5H,1-4H3;1-2H3/b10-8+;
InChIKeyPEJIJUSMGKTBPK-VRTOBVRTSA-N
XLogP4.03
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.35
LogP ≤ 54.03
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

(E)-6-ethylsulfanyl-N-methylhept-3-en-2-imine
CID 139378591
(Z)-but-2-ene;ethane;(2E)-2-ethylidene-N,4,5-trimethylthiophen-3-imine
CID 143718215
(2E)-2-butan-2-ylidene-N,5-dimethylthiophen-3-imine;ethane
CID 143858158
(2E)-2-but-3-en-2-ylidene-N,5-dimethylthiophen-3-imine;ethane
CID 143858162
(2E)-2-but-3-en-2-ylidene-N,5-dimethylthiophen-3-imine
CID 143858163
ethane;(2Z)-N-ethyl-5-methyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine
CID 153342777
(2Z)-N-ethyl-5-methyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine
CID 153342778
2,5-dimethyl-7H-thieno[2,3-d]azepine
CID 167073594
ethane;N-ethyl-2-propan-2-ylidenethiophen-3-imine
CID 170732073
(3Z,6Z)-N,2-dimethyl-4-methylsulfanylnona-1,3,6,8-tetraen-5-imine;ethane
CID 177982784
(Z)-5-[(Z)-but-2-en-2-yl]sulfanyl-3-ethyl-N-methylpent-3-en-2-imine
CID 143331734
(2E)-2-ethylidene-N,4,5-trimethylthiophen-3-imine
CID 143718216

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-2-propan-2-ylidenethiophen-3-imine;ethane?
The IUPAC name of N,5-dimethyl-2-propan-2-ylidenethiophen-3-imine;ethane (CID 143858138) is N,5-dimethyl-2-propan-2-ylidenethiophen-3-imine;ethane.
What is the SMILES notation for N,5-dimethyl-2-propan-2-ylidenethiophen-3-imine;ethane?
The canonical SMILES for N,5-dimethyl-2-propan-2-ylidenethiophen-3-imine;ethane is C/N=C1\C=C(C)SC1=C(C)C.CC.
What is the InChIKey of N,5-dimethyl-2-propan-2-ylidenethiophen-3-imine;ethane?
The InChIKey is PEJIJUSMGKTBPK-VRTOBVRTSA-N. The full InChI is InChI=1S/C9H13NS.C2H6/c1-6(2)9-8(10-4)5-7(3)11-9;1-2/h5H,1-4H3;1-2H3/b10-8+;.
What are the key properties of N,5-dimethyl-2-propan-2-ylidenethiophen-3-imine;ethane?
N,5-dimethyl-2-propan-2-ylidenethiophen-3-imine;ethane has a molecular weight of 197.35 g/mol, XLogP of 4.03, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-2-propan-2-ylidenethiophen-3-imine;ethane is sourced from PubChem (CID 143858138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).