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

C9H13NS — CID 143858139

IUPACN,5-dimethyl-2-propan-2-ylidenethiophen-3-imine
SMILESC/N=C1\C=C(C)SC1=C(C)C
InChIInChI=1S/C9H13NS/c1-6(2)9-8(10-4)5-7(3)11-9/h5H,1-4H3/b10-8+
InChIKeyUKFZUNFBMZPDMN-CSKARUKUSA-N
MW167.28 g/mol
LogP3.00
Rot. Bonds

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

N,5-dimethyl-2-propan-2-ylidenethiophen-3-imine (PubChem CID 143858139) has the molecular formula C9H13NS and a molecular weight of 167.28 g/mol. Its IUPAC name is N,5-dimethyl-2-propan-2-ylidenethiophen-3-imine.

Molecular Properties

Compound NameN,5-dimethyl-2-propan-2-ylidenethiophen-3-imine
PubChem CID143858139
Molecular FormulaC9H13NS
Molecular Weight167.28 g/mol
Exact Mass167.08
IUPAC NameN,5-dimethyl-2-propan-2-ylidenethiophen-3-imine
SMILESC/N=C1\C=C(C)SC1=C(C)C
InChIInChI=1S/C9H13NS/c1-6(2)9-8(10-4)5-7(3)11-9/h5H,1-4H3/b10-8+
InChIKeyUKFZUNFBMZPDMN-CSKARUKUSA-N
XLogP3.00
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.28
LogP ≤ 53.00
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

N-methyl-2-(2-methylidenebutylidene)thiophen-3-imine
CID 123630813
(2Z)-N,4-dimethyl-2-(2-methylpropylidene)thiophen-3-imine
CID 139473668
(Z)-but-2-ene;ethane;(2E)-2-ethylidene-N,4,5-trimethylthiophen-3-imine
CID 143718215
N,5-dimethyl-2-propan-2-ylidenethiophen-3-imine;ethane
CID 143858138
(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
(2Z)-N-methyl-2-pentan-2-ylidenethiophen-3-imine
CID 163710913
2,5-dimethyl-7H-thieno[2,3-d]azepine
CID 167073594
ethane;N-ethyl-2-propan-2-ylidenethiophen-3-imine
CID 170732073

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-2-propan-2-ylidenethiophen-3-imine?
The IUPAC name of N,5-dimethyl-2-propan-2-ylidenethiophen-3-imine (CID 143858139) is N,5-dimethyl-2-propan-2-ylidenethiophen-3-imine.
What is the SMILES notation for N,5-dimethyl-2-propan-2-ylidenethiophen-3-imine?
The canonical SMILES for N,5-dimethyl-2-propan-2-ylidenethiophen-3-imine is C/N=C1\C=C(C)SC1=C(C)C.
What is the InChIKey of N,5-dimethyl-2-propan-2-ylidenethiophen-3-imine?
The InChIKey is UKFZUNFBMZPDMN-CSKARUKUSA-N. The full InChI is InChI=1S/C9H13NS/c1-6(2)9-8(10-4)5-7(3)11-9/h5H,1-4H3/b10-8+.
What are the key properties of N,5-dimethyl-2-propan-2-ylidenethiophen-3-imine?
N,5-dimethyl-2-propan-2-ylidenethiophen-3-imine has a molecular weight of 167.28 g/mol, XLogP of 3.00, 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 is sourced from PubChem (CID 143858139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).