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

C15H25NS — CID 114229515

IUPACN-[[2-(5-ethylthiophen-2-yl)-2,3,3-trimethylcyclopropyl]methyl]ethanamine
SMILESCCNCC1C(C)(C)C1(C)c1ccc(CC)s1
InChIInChI=1S/C15H25NS/c1-6-11-8-9-13(17-11)15(5)12(10-16-7-2)14(15,3)4/h8-9,12,16H,6-7,10H2,1-5H3
InChIKeyXUFVRZSIXKYNHV-UHFFFAOYSA-N
MW251.44 g/mol
LogP3.83
Rot. Bonds5

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

N-[[2-(5-ethylthiophen-2-yl)-2,3,3-trimethylcyclopropyl]methyl]ethanamine (PubChem CID 114229515) has the molecular formula C15H25NS and a molecular weight of 251.44 g/mol. Its IUPAC name is N-[[2-(5-ethylthiophen-2-yl)-2,3,3-trimethylcyclopropyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(5-ethylthiophen-2-yl)-2,3,3-trimethylcyclopropyl]methyl]ethanamine
PubChem CID114229515
Molecular FormulaC15H25NS
Molecular Weight251.44 g/mol
Exact Mass251.17
IUPAC NameN-[[2-(5-ethylthiophen-2-yl)-2,3,3-trimethylcyclopropyl]methyl]ethanamine
SMILESCCNCC1C(C)(C)C1(C)c1ccc(CC)s1
InChIInChI=1S/C15H25NS/c1-6-11-8-9-13(17-11)15(5)12(10-16-7-2)14(15,3)4/h8-9,12,16H,6-7,10H2,1-5H3
InChIKeyXUFVRZSIXKYNHV-UHFFFAOYSA-N
XLogP3.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.44
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(Thiophen-2-yl)-3-aza-bicyclo[3.1.0]hexane
CID 44561207
(1R,5R)-1-(2-Thienyl)-3-azabicyclo[3.1.0]hexane
CID 44561208
(1S,5S)-1-(2-Thienyl)-3-azabicyclo[3.1.0]hexane
CID 44561209
8-[5-(Piperidin-4-ylmethyl)thiophen-2-yl]octan-1-amine
CID 16126037
(cis)-2-Methyl-1-(thiophen-2-yl)-3-aza-bicyclo[3.1.0]hexane
CID 44561131
(trans)-4-Methyl-1-(thiophen-2-yl)-3-aza-bicyclo[3.1.0]hexane
CID 44561210
(cis)-4-Methyl-1-(thiophen-2-yl)-3-aza-bicyclo[3.1.0]hexane
CID 44561211
1-(5-(Trifluoromethyl)thiophen-2-yl)-3-aza-bicyclo[3.1.0]hexane
CID 44561251
(1S,5S)-1-(5-fluorothiophen-2-yl)-3-aza-bicyclo[3.1.0]hexane
CID 44561256
4-(2-Thienyl)piperidine
CID 19095574
N-propyl-8-[5-[4-(propylamino)butyl]thiophen-2-yl]octan-1-amine
CID 16125860
N-methyl-8-[5-(piperidin-4-ylmethyl)thiophen-2-yl]octan-1-amine
CID 16126035

Frequently Asked Questions

What is the IUPAC name of N-[[2-(5-ethylthiophen-2-yl)-2,3,3-trimethylcyclopropyl]methyl]ethanamine?
The IUPAC name of N-[[2-(5-ethylthiophen-2-yl)-2,3,3-trimethylcyclopropyl]methyl]ethanamine (CID 114229515) is N-[[2-(5-ethylthiophen-2-yl)-2,3,3-trimethylcyclopropyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(5-ethylthiophen-2-yl)-2,3,3-trimethylcyclopropyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(5-ethylthiophen-2-yl)-2,3,3-trimethylcyclopropyl]methyl]ethanamine is CCNCC1C(C)(C)C1(C)c1ccc(CC)s1.
What is the InChIKey of N-[[2-(5-ethylthiophen-2-yl)-2,3,3-trimethylcyclopropyl]methyl]ethanamine?
The InChIKey is XUFVRZSIXKYNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NS/c1-6-11-8-9-13(17-11)15(5)12(10-16-7-2)14(15,3)4/h8-9,12,16H,6-7,10H2,1-5H3.
What are the key properties of N-[[2-(5-ethylthiophen-2-yl)-2,3,3-trimethylcyclopropyl]methyl]ethanamine?
N-[[2-(5-ethylthiophen-2-yl)-2,3,3-trimethylcyclopropyl]methyl]ethanamine has a molecular weight of 251.44 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(5-ethylthiophen-2-yl)-2,3,3-trimethylcyclopropyl]methyl]ethanamine is sourced from PubChem (CID 114229515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).