3-methyl-N-(2-methylpropyl)-4-thiophen-2-ylbutan-1-amine

C13H23NS — CID 81015336

IUPAC3-methyl-N-(2-methylpropyl)-4-thiophen-2-ylbutan-1-amine
SMILESCC(C)CNCCC(C)Cc1cccs1
InChIInChI=1S/C13H23NS/c1-11(2)10-14-7-6-12(3)9-13-5-4-8-15-13/h4-5,8,11-12,14H,6-7,9-10H2,1-3H3
InChIKeyBUVMAUDZQIFTBB-UHFFFAOYSA-N
MW225.40 g/mol
LogP3.56
Rot. Bonds7

About 3-methyl-N-(2-methylpropyl)-4-thiophen-2-ylbutan-1-amine

3-methyl-N-(2-methylpropyl)-4-thiophen-2-ylbutan-1-amine (PubChem CID 81015336) has the molecular formula C13H23NS and a molecular weight of 225.40 g/mol. Its IUPAC name is 3-methyl-N-(2-methylpropyl)-4-thiophen-2-ylbutan-1-amine.

Molecular Properties

Compound Name3-methyl-N-(2-methylpropyl)-4-thiophen-2-ylbutan-1-amine
PubChem CID81015336
Molecular FormulaC13H23NS
Molecular Weight225.40 g/mol
Exact Mass225.16
IUPAC Name3-methyl-N-(2-methylpropyl)-4-thiophen-2-ylbutan-1-amine
SMILESCC(C)CNCCC(C)Cc1cccs1
InChIInChI=1S/C13H23NS/c1-11(2)10-14-7-6-12(3)9-13-5-4-8-15-13/h4-5,8,11-12,14H,6-7,9-10H2,1-3H3
InChIKeyBUVMAUDZQIFTBB-UHFFFAOYSA-N
XLogP3.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.40
LogP ≤ 53.56
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

3-methyl-N-propan-2-yl-4-thiophen-2-ylbutan-1-amine
CID 81018951
N-(2-methylpropyl)-3-thiophen-2-ylbutan-1-amine
CID 81020260
2,2-dimethyl-N-(2-methyl-3-thiophen-2-ylpropyl)propan-1-amine
CID 115655098
N-[2-(4-fluorophenyl)-3-thiophen-2-ylpropyl]-2-methylpropan-1-amine
CID 79437960
N-propan-2-yl-1-thiophen-2-ylpropan-2-amine
CID 15162973
2-methyl-1-(3-methylbutyl)-3-(2-methyl-3-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111494987
4-N-methyl-1-N-(2-methylpropyl)-4-N-(2-thiophen-2-ylethyl)pentane-1,4-diamine
CID 79494469
4-methyl-5-thiophen-2-ylpentan-2-amine
CID 64721186
(2R)-4-(thiophen-2-ylmethylamino)butan-2-ol
CID 96500236
2-methyl-N-(2-thiophen-2-ylethyl)butan-1-amine
CID 43201407
4-methoxy-N-(2-methyl-3-thiophen-2-ylpropyl)butan-2-amine
CID 115723916
1-N-(3-methylbutyl)-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 55087518

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methylpropyl)-4-thiophen-2-ylbutan-1-amine?
The IUPAC name of 3-methyl-N-(2-methylpropyl)-4-thiophen-2-ylbutan-1-amine (CID 81015336) is 3-methyl-N-(2-methylpropyl)-4-thiophen-2-ylbutan-1-amine.
What is the SMILES notation for 3-methyl-N-(2-methylpropyl)-4-thiophen-2-ylbutan-1-amine?
The canonical SMILES for 3-methyl-N-(2-methylpropyl)-4-thiophen-2-ylbutan-1-amine is CC(C)CNCCC(C)Cc1cccs1.
What is the InChIKey of 3-methyl-N-(2-methylpropyl)-4-thiophen-2-ylbutan-1-amine?
The InChIKey is BUVMAUDZQIFTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NS/c1-11(2)10-14-7-6-12(3)9-13-5-4-8-15-13/h4-5,8,11-12,14H,6-7,9-10H2,1-3H3.
What are the key properties of 3-methyl-N-(2-methylpropyl)-4-thiophen-2-ylbutan-1-amine?
3-methyl-N-(2-methylpropyl)-4-thiophen-2-ylbutan-1-amine has a molecular weight of 225.40 g/mol, XLogP of 3.56, 7 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)-4-thiophen-2-ylbutan-1-amine is sourced from PubChem (CID 81015336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).