2-methyl-N-[2-(5-methylthiophen-3-yl)ethyl]propan-1-amine

C11H19NS — CID 65104535

IUPAC2-methyl-N-[2-(5-methylthiophen-3-yl)ethyl]propan-1-amine
SMILESCc1cc(CCNCC(C)C)cs1
InChIInChI=1S/C11H19NS/c1-9(2)7-12-5-4-11-6-10(3)13-8-11/h6,8-9,12H,4-5,7H2,1-3H3
InChIKeyQNAZDPJFEHTKGB-UHFFFAOYSA-N
MW197.35 g/mol
LogP2.84
Rot. Bonds5

About 2-methyl-N-[2-(5-methylthiophen-3-yl)ethyl]propan-1-amine

2-methyl-N-[2-(5-methylthiophen-3-yl)ethyl]propan-1-amine (PubChem CID 65104535) has the molecular formula C11H19NS and a molecular weight of 197.35 g/mol. Its IUPAC name is 2-methyl-N-[2-(5-methylthiophen-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(5-methylthiophen-3-yl)ethyl]propan-1-amine
PubChem CID65104535
Molecular FormulaC11H19NS
Molecular Weight197.35 g/mol
Exact Mass197.12
IUPAC Name2-methyl-N-[2-(5-methylthiophen-3-yl)ethyl]propan-1-amine
SMILESCc1cc(CCNCC(C)C)cs1
InChIInChI=1S/C11H19NS/c1-9(2)7-12-5-4-11-6-10(3)13-8-11/h6,8-9,12H,4-5,7H2,1-3H3
InChIKeyQNAZDPJFEHTKGB-UHFFFAOYSA-N
XLogP2.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.35
LogP ≤ 52.84
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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Related Compounds

2-methyl-N-[2-(5-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 115375189
2-methyl-N-[2-(4-methylphenyl)ethyl]propan-1-amine
CID 60983758
N-[2-(3-fluoro-4-methylphenyl)ethyl]-2-methylpropan-1-amine
CID 64866859
N-ethyl-2-methyl-3-(5-methylthiophen-3-yl)propan-1-amine
CID 65102007
N-[2-(3,5-dimethoxyphenyl)ethyl]-2-methylpropan-1-amine
CID 64867284
ethane;4-ethyl-2-methylthiophene
CID 143587755
2-methyl-N-[2-(3-propylphenyl)ethyl]propan-1-amine
CID 116545559
4-(3-bromohexyl)-2-methylthiophene
CID 65102181
4-(3-chloropentyl)-2-methylthiophene
CID 65102068
2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 60760021
2-methyl-N-[2-[4-[2-(propan-2-ylamino)ethyl]phenyl]ethyl]propan-1-amine;molecular hydrogen
CID 162110606
2-methyl-N-(2-quinolin-3-ylethyl)propan-1-amine
CID 62603664

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(5-methylthiophen-3-yl)ethyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[2-(5-methylthiophen-3-yl)ethyl]propan-1-amine (CID 65104535) is 2-methyl-N-[2-(5-methylthiophen-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[2-(5-methylthiophen-3-yl)ethyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[2-(5-methylthiophen-3-yl)ethyl]propan-1-amine is Cc1cc(CCNCC(C)C)cs1.
What is the InChIKey of 2-methyl-N-[2-(5-methylthiophen-3-yl)ethyl]propan-1-amine?
The InChIKey is QNAZDPJFEHTKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NS/c1-9(2)7-12-5-4-11-6-10(3)13-8-11/h6,8-9,12H,4-5,7H2,1-3H3.
What are the key properties of 2-methyl-N-[2-(5-methylthiophen-3-yl)ethyl]propan-1-amine?
2-methyl-N-[2-(5-methylthiophen-3-yl)ethyl]propan-1-amine has a molecular weight of 197.35 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(5-methylthiophen-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 65104535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).