4-(5-chlorothiophen-2-yl)-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine

C14H24ClNS — CID 81034530

IUPAC4-(5-chlorothiophen-2-yl)-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCCC(C)(C)Cc1ccc(Cl)s1
InChIInChI=1S/C14H24ClNS/c1-11(2)10-16-8-7-14(3,4)9-12-5-6-13(15)17-12/h5-6,11,16H,7-10H2,1-4H3
InChIKeyPMLLFZOHLFDLJK-UHFFFAOYSA-N
MW273.87 g/mol
LogP4.61
Rot. Bonds7

About 4-(5-chlorothiophen-2-yl)-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine

4-(5-chlorothiophen-2-yl)-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine (PubChem CID 81034530) has the molecular formula C14H24ClNS and a molecular weight of 273.87 g/mol. Its IUPAC name is 4-(5-chlorothiophen-2-yl)-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name4-(5-chlorothiophen-2-yl)-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
PubChem CID81034530
Molecular FormulaC14H24ClNS
Molecular Weight273.87 g/mol
Exact Mass273.13
IUPAC Name4-(5-chlorothiophen-2-yl)-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCCC(C)(C)Cc1ccc(Cl)s1
InChIInChI=1S/C14H24ClNS/c1-11(2)10-16-8-7-14(3,4)9-12-5-6-13(15)17-12/h5-6,11,16H,7-10H2,1-4H3
InChIKeyPMLLFZOHLFDLJK-UHFFFAOYSA-N
XLogP4.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.87
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(5-chlorothiophen-2-yl)-3,3-dimethyl-N-(2-methylpropyl)butan-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

1-(5-chlorothiophen-2-yl)-2-methyl-4-(2-methylpropylamino)butan-2-ol
CID 66002664
N-[(5-chlorothiophen-2-yl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62256088
3-(5-chlorothiophen-2-yl)-2,2-dimethylpropan-1-ol
CID 66025156
5-(5-chlorothiophen-2-yl)-N-(2-methylpropyl)pent-3-en-1-amine
CID 79598400
3,3-dimethyl-N-(2-methylpropyl)-4-(1,3-thiazol-5-yl)butan-1-amine
CID 112645570
4-(4-fluorophenyl)-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 81034537
4-(3-chloro-4-fluorophenyl)-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 103042327
1-(5-bromothiophen-2-yl)-2-methyl-4-(2-methylpropylamino)butan-2-ol
CID 66002474
4-(2-bromo-5-fluorophenyl)-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 81035051
2-(5-chlorothiophen-2-yl)-N-(2-methylpropyl)acetamide
CID 110767654
3,3-dimethyl-N-(2-methylpropyl)-4-(2-methyl-1,3-thiazol-4-yl)butan-1-amine
CID 81033944
3-(5-chlorothiophen-2-yl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 62725480

Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorothiophen-2-yl)-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 4-(5-chlorothiophen-2-yl)-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine (CID 81034530) is 4-(5-chlorothiophen-2-yl)-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 4-(5-chlorothiophen-2-yl)-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 4-(5-chlorothiophen-2-yl)-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine is CC(C)CNCCC(C)(C)Cc1ccc(Cl)s1.
What is the InChIKey of 4-(5-chlorothiophen-2-yl)-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine?
The InChIKey is PMLLFZOHLFDLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClNS/c1-11(2)10-16-8-7-14(3,4)9-12-5-6-13(15)17-12/h5-6,11,16H,7-10H2,1-4H3.
What are the key properties of 4-(5-chlorothiophen-2-yl)-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine?
4-(5-chlorothiophen-2-yl)-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine has a molecular weight of 273.87 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorothiophen-2-yl)-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 81034530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).