3-methyl-N-(2-methylpropyl)-3-thiophen-2-ylbutan-1-amine

C13H23NS — CID 79830202

IUPAC3-methyl-N-(2-methylpropyl)-3-thiophen-2-ylbutan-1-amine
SMILESCC(C)CNCCC(C)(C)c1cccs1
InChIInChI=1S/C13H23NS/c1-11(2)10-14-8-7-13(3,4)12-6-5-9-15-12/h5-6,9,11,14H,7-8,10H2,1-4H3
InChIKeyINSGTYMFEWCKGB-UHFFFAOYSA-N
MW225.40 g/mol
LogP3.66
Rot. Bonds6

About 3-methyl-N-(2-methylpropyl)-3-thiophen-2-ylbutan-1-amine

3-methyl-N-(2-methylpropyl)-3-thiophen-2-ylbutan-1-amine (PubChem CID 79830202) has the molecular formula C13H23NS and a molecular weight of 225.40 g/mol. Its IUPAC name is 3-methyl-N-(2-methylpropyl)-3-thiophen-2-ylbutan-1-amine.

Molecular Properties

Compound Name3-methyl-N-(2-methylpropyl)-3-thiophen-2-ylbutan-1-amine
PubChem CID79830202
Molecular FormulaC13H23NS
Molecular Weight225.40 g/mol
Exact Mass225.16
IUPAC Name3-methyl-N-(2-methylpropyl)-3-thiophen-2-ylbutan-1-amine
SMILESCC(C)CNCCC(C)(C)c1cccs1
InChIInChI=1S/C13H23NS/c1-11(2)10-14-8-7-13(3,4)12-6-5-9-15-12/h5-6,9,11,14H,7-8,10H2,1-4H3
InChIKeyINSGTYMFEWCKGB-UHFFFAOYSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.40
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-methyl-N-(2-methylpropyl)-3-thiophen-2-ylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-iodophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 79830112
3-(3-chlorothiophen-2-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 80531932
2,5-dimethyl-5-thiophen-2-ylhexan-2-ol
CID 18466748
3-(4,5-dibromothiophen-2-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 80534974
N-(2-methylpropyl)-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]propanamide
CID 78963769
N-(2-methylpropyl)-3-thiophen-2-ylbutan-1-amine
CID 81020260
3-(4-bromo-5-chlorothiophen-2-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 102838807
2-(1-chloro-2-methylpropan-2-yl)thiophene
CID 154107468
ethane;2-(2-methylbutan-2-yl)thiophene
CID 142062871
2-methyl-2-thiophen-2-ylpropan-1-amine
CID 51664087
2-(1-bromo-2-methylpropan-2-yl)thiophene
CID 83690309
N-(3-methylbutyl)-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]propanamide
CID 78963907

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methylpropyl)-3-thiophen-2-ylbutan-1-amine?
The IUPAC name of 3-methyl-N-(2-methylpropyl)-3-thiophen-2-ylbutan-1-amine (CID 79830202) is 3-methyl-N-(2-methylpropyl)-3-thiophen-2-ylbutan-1-amine.
What is the SMILES notation for 3-methyl-N-(2-methylpropyl)-3-thiophen-2-ylbutan-1-amine?
The canonical SMILES for 3-methyl-N-(2-methylpropyl)-3-thiophen-2-ylbutan-1-amine is CC(C)CNCCC(C)(C)c1cccs1.
What is the InChIKey of 3-methyl-N-(2-methylpropyl)-3-thiophen-2-ylbutan-1-amine?
The InChIKey is INSGTYMFEWCKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NS/c1-11(2)10-14-8-7-13(3,4)12-6-5-9-15-12/h5-6,9,11,14H,7-8,10H2,1-4H3.
What are the key properties of 3-methyl-N-(2-methylpropyl)-3-thiophen-2-ylbutan-1-amine?
3-methyl-N-(2-methylpropyl)-3-thiophen-2-ylbutan-1-amine has a molecular weight of 225.40 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methylpropyl)-3-thiophen-2-ylbutan-1-amine is sourced from PubChem (CID 79830202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).