N-[(2,5-dimethylthiophen-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine

C16H27NS — CID 66476492

IUPACN-[(2,5-dimethylthiophen-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
SMILESCCNC(c1cc(C)sc1C)C1C(C)(C)C1(C)C
InChIInChI=1S/C16H27NS/c1-8-17-13(12-9-10(2)18-11(12)3)14-15(4,5)16(14,6)7/h9,13-14,17H,8H2,1-7H3
InChIKeyLMKORXGVCDUKAK-UHFFFAOYSA-N
MW265.47 g/mol
LogP4.70
Rot. Bonds4

About N-[(2,5-dimethylthiophen-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine

N-[(2,5-dimethylthiophen-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine (PubChem CID 66476492) has the molecular formula C16H27NS and a molecular weight of 265.47 g/mol. Its IUPAC name is N-[(2,5-dimethylthiophen-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,5-dimethylthiophen-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
PubChem CID66476492
Molecular FormulaC16H27NS
Molecular Weight265.47 g/mol
Exact Mass265.19
IUPAC NameN-[(2,5-dimethylthiophen-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
SMILESCCNC(c1cc(C)sc1C)C1C(C)(C)C1(C)C
InChIInChI=1S/C16H27NS/c1-8-17-13(12-9-10(2)18-11(12)3)14-15(4,5)16(14,6)7/h9,13-14,17H,8H2,1-7H3
InChIKeyLMKORXGVCDUKAK-UHFFFAOYSA-N
XLogP4.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.47
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2,5-dimethylthiophen-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine 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-[(2,2-dimethylcyclopentyl)-(2,5-dimethylthiophen-3-yl)methyl]ethanamine
CID 107177420
N-[(5-bromo-2-methylthiophen-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine
CID 66475549
N-[(2-fluoro-5-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 115852878
N-[(2,5-dimethylthiophen-3-yl)-(1,1-dioxothian-2-yl)methyl]ethanamine
CID 104518620
N-[(2,2,3,3-tetramethylcyclopropyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 66475920
N-[(4-chloro-2-fluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 105022703
N-[(5-ethylthiophen-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 66477250
N-[(2,2-dimethylcyclohexyl)-(2,5-dimethylthiophen-3-yl)methyl]propan-1-amine
CID 107177546
N-[(2,5-dimethoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 66478019
N-[(2-ethoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 115853735
N-[(2,5-dimethylthiophen-3-yl)-(3,4,5-trifluorophenyl)methyl]ethanamine
CID 63185029
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine
CID 43200455

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylthiophen-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine?
The IUPAC name of N-[(2,5-dimethylthiophen-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine (CID 66476492) is N-[(2,5-dimethylthiophen-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine.
What is the SMILES notation for N-[(2,5-dimethylthiophen-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine?
The canonical SMILES for N-[(2,5-dimethylthiophen-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine is CCNC(c1cc(C)sc1C)C1C(C)(C)C1(C)C.
What is the InChIKey of N-[(2,5-dimethylthiophen-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine?
The InChIKey is LMKORXGVCDUKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NS/c1-8-17-13(12-9-10(2)18-11(12)3)14-15(4,5)16(14,6)7/h9,13-14,17H,8H2,1-7H3.
What are the key properties of N-[(2,5-dimethylthiophen-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine?
N-[(2,5-dimethylthiophen-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine has a molecular weight of 265.47 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylthiophen-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine is sourced from PubChem (CID 66476492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).