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

C16H27NS — CID 66477250

IUPACN-[(5-ethylthiophen-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
SMILESCCNC(c1ccc(CC)s1)C1C(C)(C)C1(C)C
InChIInChI=1S/C16H27NS/c1-7-11-9-10-12(18-11)13(17-8-2)14-15(3,4)16(14,5)6/h9-10,13-14,17H,7-8H2,1-6H3
InChIKeyOMKKGMQIZJQBMA-UHFFFAOYSA-N
MW265.47 g/mol
LogP4.64
Rot. Bonds5

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

N-[(5-ethylthiophen-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine (PubChem CID 66477250) has the molecular formula C16H27NS and a molecular weight of 265.47 g/mol. Its IUPAC name is N-[(5-ethylthiophen-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-ethylthiophen-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
PubChem CID66477250
Molecular FormulaC16H27NS
Molecular Weight265.47 g/mol
Exact Mass265.19
IUPAC NameN-[(5-ethylthiophen-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
SMILESCCNC(c1ccc(CC)s1)C1C(C)(C)C1(C)C
InChIInChI=1S/C16H27NS/c1-7-11-9-10-12(18-11)13(17-8-2)14-15(3,4)16(14,5)6/h9-10,13-14,17H,7-8H2,1-6H3
InChIKeyOMKKGMQIZJQBMA-UHFFFAOYSA-N
XLogP4.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.47
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(5-ethylthiophen-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine with MolForge

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Related Compounds

N-ethyl-1-(5-ethylthiophen-2-yl)ethane-1,2-diamine
CID 62344671
N-ethyl-1-(5-ethylthiophen-2-yl)prop-2-en-1-amine
CID 105000886
N-[(5-ethylthiophen-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine
CID 105052858
N-[(3-ethylthiophen-2-yl)-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 79986033
N-ethyl-1-(5-ethylthiophen-2-yl)-2-methylpentan-1-amine
CID 43488382
N-[(2,5-dimethylthiophen-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 66476492
1-(5-ethylthiophen-2-yl)-N-[(1-methylcyclopropyl)methyl]ethanamine
CID 103902899
N-[(4-bromophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 43488443
N-[(3,5-dichlorophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 43488451
N-[(3,5-difluorophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 43488408
N-[(4,5-dimethylthiophen-2-yl)-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 65237749
(1R)-1-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 55277214

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylthiophen-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine?
The IUPAC name of N-[(5-ethylthiophen-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine (CID 66477250) is N-[(5-ethylthiophen-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-ethylthiophen-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine?
The canonical SMILES for N-[(5-ethylthiophen-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine is CCNC(c1ccc(CC)s1)C1C(C)(C)C1(C)C.
What is the InChIKey of N-[(5-ethylthiophen-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine?
The InChIKey is OMKKGMQIZJQBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NS/c1-7-11-9-10-12(18-11)13(17-8-2)14-15(3,4)16(14,5)6/h9-10,13-14,17H,7-8H2,1-6H3.
What are the key properties of N-[(5-ethylthiophen-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine?
N-[(5-ethylthiophen-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine has a molecular weight of 265.47 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylthiophen-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine is sourced from PubChem (CID 66477250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).