2-methyl-N-[(Z)-3-methyl-1-methylsulfanylbut-1-en-2-yl]propan-1-imine

C10H19NS — CID 166948684

IUPAC2-methyl-N-[(Z)-3-methyl-1-methylsulfanylbut-1-en-2-yl]propan-1-imine
SMILESCS/C=C(\N=C\C(C)C)C(C)C
InChIInChI=1S/C10H19NS/c1-8(2)6-11-10(7-12-5)9(3)4/h6-9H,1-5H3/b10-7-,11-6+
InChIKeyHHKURTVMOREHRO-IKVLVDHLSA-N
MW185.34 g/mol
LogP3.57
Rot. Bonds4

About 2-methyl-N-[(Z)-3-methyl-1-methylsulfanylbut-1-en-2-yl]propan-1-imine

2-methyl-N-[(Z)-3-methyl-1-methylsulfanylbut-1-en-2-yl]propan-1-imine (PubChem CID 166948684) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is 2-methyl-N-[(Z)-3-methyl-1-methylsulfanylbut-1-en-2-yl]propan-1-imine.

Molecular Properties

Compound Name2-methyl-N-[(Z)-3-methyl-1-methylsulfanylbut-1-en-2-yl]propan-1-imine
PubChem CID166948684
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name2-methyl-N-[(Z)-3-methyl-1-methylsulfanylbut-1-en-2-yl]propan-1-imine
SMILESCS/C=C(\N=C\C(C)C)C(C)C
InChIInChI=1S/C10H19NS/c1-8(2)6-11-10(7-12-5)9(3)4/h6-9H,1-5H3/b10-7-,11-6+
InChIKeyHHKURTVMOREHRO-IKVLVDHLSA-N
XLogP3.57
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(Z)-3-methyl-1-methylsulfanylbut-1-en-2-yl]propan-1-imine?
The IUPAC name of 2-methyl-N-[(Z)-3-methyl-1-methylsulfanylbut-1-en-2-yl]propan-1-imine (CID 166948684) is 2-methyl-N-[(Z)-3-methyl-1-methylsulfanylbut-1-en-2-yl]propan-1-imine.
What is the SMILES notation for 2-methyl-N-[(Z)-3-methyl-1-methylsulfanylbut-1-en-2-yl]propan-1-imine?
The canonical SMILES for 2-methyl-N-[(Z)-3-methyl-1-methylsulfanylbut-1-en-2-yl]propan-1-imine is CS/C=C(\N=C\C(C)C)C(C)C.
What is the InChIKey of 2-methyl-N-[(Z)-3-methyl-1-methylsulfanylbut-1-en-2-yl]propan-1-imine?
The InChIKey is HHKURTVMOREHRO-IKVLVDHLSA-N. The full InChI is InChI=1S/C10H19NS/c1-8(2)6-11-10(7-12-5)9(3)4/h6-9H,1-5H3/b10-7-,11-6+.
What are the key properties of 2-methyl-N-[(Z)-3-methyl-1-methylsulfanylbut-1-en-2-yl]propan-1-imine?
2-methyl-N-[(Z)-3-methyl-1-methylsulfanylbut-1-en-2-yl]propan-1-imine has a molecular weight of 185.34 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(Z)-3-methyl-1-methylsulfanylbut-1-en-2-yl]propan-1-imine is sourced from PubChem (CID 166948684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).