N-[1-(5-chlorothiophen-2-yl)ethyl]-3,3-dimethylbutan-1-amine

C12H20ClNS — CID 61469472

IUPACN-[1-(5-chlorothiophen-2-yl)ethyl]-3,3-dimethylbutan-1-amine
SMILESCC(NCCC(C)(C)C)c1ccc(Cl)s1
InChIInChI=1S/C12H20ClNS/c1-9(10-5-6-11(13)15-10)14-8-7-12(2,3)4/h5-6,9,14H,7-8H2,1-4H3
InChIKeyWHBLJTXVCJYWSO-UHFFFAOYSA-N
MW245.82 g/mol
LogP4.49
Rot. Bonds4

About N-[1-(5-chlorothiophen-2-yl)ethyl]-3,3-dimethylbutan-1-amine

N-[1-(5-chlorothiophen-2-yl)ethyl]-3,3-dimethylbutan-1-amine (PubChem CID 61469472) has the molecular formula C12H20ClNS and a molecular weight of 245.82 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-2-yl)ethyl]-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-2-yl)ethyl]-3,3-dimethylbutan-1-amine
PubChem CID61469472
Molecular FormulaC12H20ClNS
Molecular Weight245.82 g/mol
Exact Mass245.10
IUPAC NameN-[1-(5-chlorothiophen-2-yl)ethyl]-3,3-dimethylbutan-1-amine
SMILESCC(NCCC(C)(C)C)c1ccc(Cl)s1
InChIInChI=1S/C12H20ClNS/c1-9(10-5-6-11(13)15-10)14-8-7-12(2,3)4/h5-6,9,14H,7-8H2,1-4H3
InChIKeyWHBLJTXVCJYWSO-UHFFFAOYSA-N
XLogP4.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.82
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(5-chlorothiophen-2-yl)ethyl]-3,3-dimethylbutan-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

3,3-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-1-amine
CID 61473830
1-(5-chlorothiophen-2-yl)-N-(2-fluoroethyl)ethanamine
CID 80696138
2-[1-(5-chlorothiophen-2-yl)ethylamino]ethanol
CID 43439192
N'-[1-(5-chlorothiophen-2-yl)ethyl]ethane-1,2-diamine
CID 60887972
N-[1-(5-chlorothiophen-2-yl)ethyl]-2,3,3-trimethylbutan-1-amine
CID 83141725
N-tert-butyl-3-[1-(5-chlorothiophen-2-yl)ethylamino]propanamide
CID 112688580
1-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 43439067
N-[1-(5-chlorothiophen-2-yl)ethyl]-3-methylsulfanylpropan-1-amine
CID 43432672
tert-butyl N-[2-[1-(5-chlorothiophen-2-yl)ethylamino]ethyl]carbamate
CID 115607022
3,3-dimethyl-N-[1-(4-propan-2-ylphenyl)ethyl]butan-1-amine
CID 63438479
2-[1-(5-chlorothiophen-2-yl)ethylamino]ethanesulfonamide
CID 43551657
N-[1-(5-chlorothiophen-2-yl)ethyl]but-2-yn-1-amine
CID 62309744

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-3,3-dimethylbutan-1-amine?
The IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-3,3-dimethylbutan-1-amine (CID 61469472) is N-[1-(5-chlorothiophen-2-yl)ethyl]-3,3-dimethylbutan-1-amine.
What is the SMILES notation for N-[1-(5-chlorothiophen-2-yl)ethyl]-3,3-dimethylbutan-1-amine?
The canonical SMILES for N-[1-(5-chlorothiophen-2-yl)ethyl]-3,3-dimethylbutan-1-amine is CC(NCCC(C)(C)C)c1ccc(Cl)s1.
What is the InChIKey of N-[1-(5-chlorothiophen-2-yl)ethyl]-3,3-dimethylbutan-1-amine?
The InChIKey is WHBLJTXVCJYWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClNS/c1-9(10-5-6-11(13)15-10)14-8-7-12(2,3)4/h5-6,9,14H,7-8H2,1-4H3.
What are the key properties of N-[1-(5-chlorothiophen-2-yl)ethyl]-3,3-dimethylbutan-1-amine?
N-[1-(5-chlorothiophen-2-yl)ethyl]-3,3-dimethylbutan-1-amine has a molecular weight of 245.82 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chlorothiophen-2-yl)ethyl]-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 61469472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).