2-methyl-N-[(5-methylthiophen-2-yl)methyl]propan-2-amine

C10H17NS — CID 712684

IUPAC2-methyl-N-[(5-methylthiophen-2-yl)methyl]propan-2-amine
SMILESCc1ccc(CNC(C)(C)C)s1
InChIInChI=1S/C10H17NS/c1-8-5-6-9(12-8)7-11-10(2,3)4/h5-6,11H,7H2,1-4H3
InChIKeyUADDNZAVVPXTSS-UHFFFAOYSA-N
MW183.32 g/mol
LogP2.94
Rot. Bonds2

About 2-methyl-N-[(5-methylthiophen-2-yl)methyl]propan-2-amine

2-methyl-N-[(5-methylthiophen-2-yl)methyl]propan-2-amine (PubChem CID 712684) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is 2-methyl-N-[(5-methylthiophen-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[(5-methylthiophen-2-yl)methyl]propan-2-amine
PubChem CID712684
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC Name2-methyl-N-[(5-methylthiophen-2-yl)methyl]propan-2-amine
SMILESCc1ccc(CNC(C)(C)C)s1
InChIInChI=1S/C10H17NS/c1-8-5-6-9(12-8)7-11-10(2,3)4/h5-6,11H,7H2,1-4H3
InChIKeyUADDNZAVVPXTSS-UHFFFAOYSA-N
XLogP2.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(5-methylthiophen-2-yl)methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[(5-methylthiophen-2-yl)methyl]propan-2-amine (CID 712684) is 2-methyl-N-[(5-methylthiophen-2-yl)methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[(5-methylthiophen-2-yl)methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[(5-methylthiophen-2-yl)methyl]propan-2-amine is Cc1ccc(CNC(C)(C)C)s1.
What is the InChIKey of 2-methyl-N-[(5-methylthiophen-2-yl)methyl]propan-2-amine?
The InChIKey is UADDNZAVVPXTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NS/c1-8-5-6-9(12-8)7-11-10(2,3)4/h5-6,11H,7H2,1-4H3.
What are the key properties of 2-methyl-N-[(5-methylthiophen-2-yl)methyl]propan-2-amine?
2-methyl-N-[(5-methylthiophen-2-yl)methyl]propan-2-amine has a molecular weight of 183.32 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(5-methylthiophen-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 712684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).