2-methyl-N-(2-methylprop-2-enyl)-3-methylsulfanylpropan-1-amine

C9H19NS — CID 63966724

IUPAC2-methyl-N-(2-methylprop-2-enyl)-3-methylsulfanylpropan-1-amine
SMILESC=C(C)CNCC(C)CSC
InChIInChI=1S/C9H19NS/c1-8(2)5-10-6-9(3)7-11-4/h9-10H,1,5-7H2,2-4H3
InChIKeyMIXSMDONWWVGOV-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.15
Rot. Bonds6

About 2-methyl-N-(2-methylprop-2-enyl)-3-methylsulfanylpropan-1-amine

2-methyl-N-(2-methylprop-2-enyl)-3-methylsulfanylpropan-1-amine (PubChem CID 63966724) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is 2-methyl-N-(2-methylprop-2-enyl)-3-methylsulfanylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(2-methylprop-2-enyl)-3-methylsulfanylpropan-1-amine
PubChem CID63966724
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name2-methyl-N-(2-methylprop-2-enyl)-3-methylsulfanylpropan-1-amine
SMILESC=C(C)CNCC(C)CSC
InChIInChI=1S/C9H19NS/c1-8(2)5-10-6-9(3)7-11-4/h9-10H,1,5-7H2,2-4H3
InChIKeyMIXSMDONWWVGOV-UHFFFAOYSA-N
XLogP2.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylprop-2-enyl)-3-methylsulfanylpropan-1-amine?
The IUPAC name of 2-methyl-N-(2-methylprop-2-enyl)-3-methylsulfanylpropan-1-amine (CID 63966724) is 2-methyl-N-(2-methylprop-2-enyl)-3-methylsulfanylpropan-1-amine.
What is the SMILES notation for 2-methyl-N-(2-methylprop-2-enyl)-3-methylsulfanylpropan-1-amine?
The canonical SMILES for 2-methyl-N-(2-methylprop-2-enyl)-3-methylsulfanylpropan-1-amine is C=C(C)CNCC(C)CSC.
What is the InChIKey of 2-methyl-N-(2-methylprop-2-enyl)-3-methylsulfanylpropan-1-amine?
The InChIKey is MIXSMDONWWVGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-8(2)5-10-6-9(3)7-11-4/h9-10H,1,5-7H2,2-4H3.
What are the key properties of 2-methyl-N-(2-methylprop-2-enyl)-3-methylsulfanylpropan-1-amine?
2-methyl-N-(2-methylprop-2-enyl)-3-methylsulfanylpropan-1-amine has a molecular weight of 173.32 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylprop-2-enyl)-3-methylsulfanylpropan-1-amine is sourced from PubChem (CID 63966724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).