3-methyl-N-(3-thiophen-2-ylpropyl)butan-2-amine

C12H21NS — CID 115897426

IUPAC3-methyl-N-(3-thiophen-2-ylpropyl)butan-2-amine
SMILESCC(C)C(C)NCCCc1cccs1
InChIInChI=1S/C12H21NS/c1-10(2)11(3)13-8-4-6-12-7-5-9-14-12/h5,7,9-11,13H,4,6,8H2,1-3H3
InChIKeyXMBXPTBHMNPZJS-UHFFFAOYSA-N
MW211.37 g/mol
LogP3.31
Rot. Bonds6

About 3-methyl-N-(3-thiophen-2-ylpropyl)butan-2-amine

3-methyl-N-(3-thiophen-2-ylpropyl)butan-2-amine (PubChem CID 115897426) has the molecular formula C12H21NS and a molecular weight of 211.37 g/mol. Its IUPAC name is 3-methyl-N-(3-thiophen-2-ylpropyl)butan-2-amine.

Molecular Properties

Compound Name3-methyl-N-(3-thiophen-2-ylpropyl)butan-2-amine
PubChem CID115897426
Molecular FormulaC12H21NS
Molecular Weight211.37 g/mol
Exact Mass211.14
IUPAC Name3-methyl-N-(3-thiophen-2-ylpropyl)butan-2-amine
SMILESCC(C)C(C)NCCCc1cccs1
InChIInChI=1S/C12H21NS/c1-10(2)11(3)13-8-4-6-12-7-5-9-14-12/h5,7,9-11,13H,4,6,8H2,1-3H3
InChIKeyXMBXPTBHMNPZJS-UHFFFAOYSA-N
XLogP3.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.37
LogP ≤ 53.31
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-(3-thiophen-2-ylpropyl)butan-2-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

N-propan-2-yl-6-thiophen-2-ylhexan-1-amine
CID 65308474
N-(3-thiophen-2-ylpropyl)hexan-2-amine
CID 115897415
N-(3-thiophen-2-ylpropyl)hex-5-en-2-amine
CID 104583720
N-(1-cyclopentylethyl)-3-thiophen-2-ylpropan-1-amine
CID 115897402
N-[1-(1,3-thiazol-5-yl)ethyl]-3-thiophen-2-ylpropan-1-amine
CID 115897434
2-methyl-N-propyl-6-thiophen-2-ylhexan-3-amine
CID 63775526
1-N,1-N-diethyl-2-N-(4-thiophen-2-ylbutyl)propane-1,2-diamine
CID 113408512
2-(5-thiophen-2-ylpentan-2-ylamino)ethanol
CID 83980472
2-methyl-6-thiophen-2-ylhexan-3-ol
CID 63774630
1-chloro-N-(2-thiophen-2-ylethyl)propan-2-amine
CID 65025687
(2-methyl-6-thiophen-2-ylhexan-3-yl)hydrazine
CID 105281740
2-(6-thiophen-2-ylhexan-2-ylamino)ethanol
CID 83980461

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-thiophen-2-ylpropyl)butan-2-amine?
The IUPAC name of 3-methyl-N-(3-thiophen-2-ylpropyl)butan-2-amine (CID 115897426) is 3-methyl-N-(3-thiophen-2-ylpropyl)butan-2-amine.
What is the SMILES notation for 3-methyl-N-(3-thiophen-2-ylpropyl)butan-2-amine?
The canonical SMILES for 3-methyl-N-(3-thiophen-2-ylpropyl)butan-2-amine is CC(C)C(C)NCCCc1cccs1.
What is the InChIKey of 3-methyl-N-(3-thiophen-2-ylpropyl)butan-2-amine?
The InChIKey is XMBXPTBHMNPZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NS/c1-10(2)11(3)13-8-4-6-12-7-5-9-14-12/h5,7,9-11,13H,4,6,8H2,1-3H3.
What are the key properties of 3-methyl-N-(3-thiophen-2-ylpropyl)butan-2-amine?
3-methyl-N-(3-thiophen-2-ylpropyl)butan-2-amine has a molecular weight of 211.37 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-thiophen-2-ylpropyl)butan-2-amine is sourced from PubChem (CID 115897426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).