(3Z)-N,4-dimethyl-3-(4-methylpent-1-en-3-ylidene)thiophen-2-imine

C12H17NS — CID 174202939

IUPAC(3Z)-N,4-dimethyl-3-(4-methylpent-1-en-3-ylidene)thiophen-2-imine
SMILESC=C/C(=C1/C(C)=CS/C1=N\C)C(C)C
InChIInChI=1S/C12H17NS/c1-6-10(8(2)3)11-9(4)7-14-12(11)13-5/h6-8H,1H2,2-5H3/b11-10+,13-12-
InChIKeyDIZGUZJWJPFPDP-MRBUWEIXSA-N
MW207.34 g/mol
LogP3.80
Rot. Bonds2

About (3Z)-N,4-dimethyl-3-(4-methylpent-1-en-3-ylidene)thiophen-2-imine

(3Z)-N,4-dimethyl-3-(4-methylpent-1-en-3-ylidene)thiophen-2-imine (PubChem CID 174202939) has the molecular formula C12H17NS and a molecular weight of 207.34 g/mol. Its IUPAC name is (3Z)-N,4-dimethyl-3-(4-methylpent-1-en-3-ylidene)thiophen-2-imine.

Molecular Properties

Compound Name(3Z)-N,4-dimethyl-3-(4-methylpent-1-en-3-ylidene)thiophen-2-imine
PubChem CID174202939
Molecular FormulaC12H17NS
Molecular Weight207.34 g/mol
Exact Mass207.11
IUPAC Name(3Z)-N,4-dimethyl-3-(4-methylpent-1-en-3-ylidene)thiophen-2-imine
SMILESC=C/C(=C1/C(C)=CS/C1=N\C)C(C)C
InChIInChI=1S/C12H17NS/c1-6-10(8(2)3)11-9(4)7-14-12(11)13-5/h6-8H,1H2,2-5H3/b11-10+,13-12-
InChIKeyDIZGUZJWJPFPDP-MRBUWEIXSA-N
XLogP3.80
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_C(85)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-N,4-dimethyl-3-(4-methylpent-1-en-3-ylidene)thiophen-2-imine?
The IUPAC name of (3Z)-N,4-dimethyl-3-(4-methylpent-1-en-3-ylidene)thiophen-2-imine (CID 174202939) is (3Z)-N,4-dimethyl-3-(4-methylpent-1-en-3-ylidene)thiophen-2-imine.
What is the SMILES notation for (3Z)-N,4-dimethyl-3-(4-methylpent-1-en-3-ylidene)thiophen-2-imine?
The canonical SMILES for (3Z)-N,4-dimethyl-3-(4-methylpent-1-en-3-ylidene)thiophen-2-imine is C=C/C(=C1/C(C)=CS/C1=N\C)C(C)C.
What is the InChIKey of (3Z)-N,4-dimethyl-3-(4-methylpent-1-en-3-ylidene)thiophen-2-imine?
The InChIKey is DIZGUZJWJPFPDP-MRBUWEIXSA-N. The full InChI is InChI=1S/C12H17NS/c1-6-10(8(2)3)11-9(4)7-14-12(11)13-5/h6-8H,1H2,2-5H3/b11-10+,13-12-.
What are the key properties of (3Z)-N,4-dimethyl-3-(4-methylpent-1-en-3-ylidene)thiophen-2-imine?
(3Z)-N,4-dimethyl-3-(4-methylpent-1-en-3-ylidene)thiophen-2-imine has a molecular weight of 207.34 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N,4-dimethyl-3-(4-methylpent-1-en-3-ylidene)thiophen-2-imine is sourced from PubChem (CID 174202939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).