N-methyl-1-(2-methyl-2,3-dihydrothiophen-3-yl)propan-1-imine

C9H15NS — CID 163695829

IUPACN-methyl-1-(2-methyl-2,3-dihydrothiophen-3-yl)propan-1-imine
SMILESCC/C(=N\C)C1C=CSC1C
InChIInChI=1S/C9H15NS/c1-4-9(10-3)8-5-6-11-7(8)2/h5-8H,4H2,1-3H3/b10-9+
InChIKeyJWWFLLDHCMLTNO-MDZDMXLPSA-N
MW169.29 g/mol
LogP2.73
Rot. Bonds2

About N-methyl-1-(2-methyl-2,3-dihydrothiophen-3-yl)propan-1-imine

N-methyl-1-(2-methyl-2,3-dihydrothiophen-3-yl)propan-1-imine (PubChem CID 163695829) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is N-methyl-1-(2-methyl-2,3-dihydrothiophen-3-yl)propan-1-imine.

Molecular Properties

Compound NameN-methyl-1-(2-methyl-2,3-dihydrothiophen-3-yl)propan-1-imine
PubChem CID163695829
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC NameN-methyl-1-(2-methyl-2,3-dihydrothiophen-3-yl)propan-1-imine
SMILESCC/C(=N\C)C1C=CSC1C
InChIInChI=1S/C9H15NS/c1-4-9(10-3)8-5-6-11-7(8)2/h5-8H,4H2,1-3H3/b10-9+
InChIKeyJWWFLLDHCMLTNO-MDZDMXLPSA-N
XLogP2.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 52.73
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

2,2,2-trifluoro-N-methyl-1-(3-methyl-2,3-dihydrothiophen-2-yl)ethanimine
CID 163965313
3-Methyl-6-(2-methyl-4-methylsulfanylbutyl)-2,3-dihydropyridine
CID 91098994
N-ethyl-6,6a-dihydro-3aH-cyclopenta[b]thiophen-3-imine
CID 91182831
2-[(3S)-hex-5-en-3-yl]-4,5-dihydro-1,3-thiazole
CID 132962086
[cyclopentyl-[(Z)-hex-1-enyl]sulfanylmethylidene]-dimethylazanium
CID 134919586

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methyl-2,3-dihydrothiophen-3-yl)propan-1-imine?
The IUPAC name of N-methyl-1-(2-methyl-2,3-dihydrothiophen-3-yl)propan-1-imine (CID 163695829) is N-methyl-1-(2-methyl-2,3-dihydrothiophen-3-yl)propan-1-imine.
What is the SMILES notation for N-methyl-1-(2-methyl-2,3-dihydrothiophen-3-yl)propan-1-imine?
The canonical SMILES for N-methyl-1-(2-methyl-2,3-dihydrothiophen-3-yl)propan-1-imine is CC/C(=N\C)C1C=CSC1C.
What is the InChIKey of N-methyl-1-(2-methyl-2,3-dihydrothiophen-3-yl)propan-1-imine?
The InChIKey is JWWFLLDHCMLTNO-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H15NS/c1-4-9(10-3)8-5-6-11-7(8)2/h5-8H,4H2,1-3H3/b10-9+.
What are the key properties of N-methyl-1-(2-methyl-2,3-dihydrothiophen-3-yl)propan-1-imine?
N-methyl-1-(2-methyl-2,3-dihydrothiophen-3-yl)propan-1-imine has a molecular weight of 169.29 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methyl-2,3-dihydrothiophen-3-yl)propan-1-imine is sourced from PubChem (CID 163695829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).