2-methyl-N-[3-(2-methylthiophen-3-yl)propyl]propan-2-amine

C12H21NS — CID 102837741

IUPAC2-methyl-N-[3-(2-methylthiophen-3-yl)propyl]propan-2-amine
SMILESCc1sccc1CCCNC(C)(C)C
InChIInChI=1S/C12H21NS/c1-10-11(7-9-14-10)6-5-8-13-12(2,3)4/h7,9,13H,5-6,8H2,1-4H3
InChIKeyZIVQJRXQUFVCCW-UHFFFAOYSA-N
MW211.37 g/mol
LogP3.38
Rot. Bonds4

About 2-methyl-N-[3-(2-methylthiophen-3-yl)propyl]propan-2-amine

2-methyl-N-[3-(2-methylthiophen-3-yl)propyl]propan-2-amine (PubChem CID 102837741) has the molecular formula C12H21NS and a molecular weight of 211.37 g/mol. Its IUPAC name is 2-methyl-N-[3-(2-methylthiophen-3-yl)propyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[3-(2-methylthiophen-3-yl)propyl]propan-2-amine
PubChem CID102837741
Molecular FormulaC12H21NS
Molecular Weight211.37 g/mol
Exact Mass211.14
IUPAC Name2-methyl-N-[3-(2-methylthiophen-3-yl)propyl]propan-2-amine
SMILESCc1sccc1CCCNC(C)(C)C
InChIInChI=1S/C12H21NS/c1-10-11(7-9-14-10)6-5-8-13-12(2,3)4/h7,9,13H,5-6,8H2,1-4H3
InChIKeyZIVQJRXQUFVCCW-UHFFFAOYSA-N
XLogP3.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.37
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(2-methylthiophen-3-yl)propyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[3-(2-methylthiophen-3-yl)propyl]propan-2-amine (CID 102837741) is 2-methyl-N-[3-(2-methylthiophen-3-yl)propyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[3-(2-methylthiophen-3-yl)propyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[3-(2-methylthiophen-3-yl)propyl]propan-2-amine is Cc1sccc1CCCNC(C)(C)C.
What is the InChIKey of 2-methyl-N-[3-(2-methylthiophen-3-yl)propyl]propan-2-amine?
The InChIKey is ZIVQJRXQUFVCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NS/c1-10-11(7-9-14-10)6-5-8-13-12(2,3)4/h7,9,13H,5-6,8H2,1-4H3.
What are the key properties of 2-methyl-N-[3-(2-methylthiophen-3-yl)propyl]propan-2-amine?
2-methyl-N-[3-(2-methylthiophen-3-yl)propyl]propan-2-amine has a molecular weight of 211.37 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(2-methylthiophen-3-yl)propyl]propan-2-amine is sourced from PubChem (CID 102837741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).