N,2-diethyl-3-(5-ethylthiophen-2-yl)-2-methylcyclobutan-1-amine

C15H25NS — CID 81416908

IUPACN,2-diethyl-3-(5-ethylthiophen-2-yl)-2-methylcyclobutan-1-amine
SMILESCCNC1CC(c2ccc(CC)s2)C1(C)CC
InChIInChI=1S/C15H25NS/c1-5-11-8-9-13(17-11)12-10-14(16-7-3)15(12,4)6-2/h8-9,12,14,16H,5-7,10H2,1-4H3
InChIKeyPJXRDWHNTIAXIX-UHFFFAOYSA-N
MW251.44 g/mol
LogP4.19
Rot. Bonds5

About N,2-diethyl-3-(5-ethylthiophen-2-yl)-2-methylcyclobutan-1-amine

N,2-diethyl-3-(5-ethylthiophen-2-yl)-2-methylcyclobutan-1-amine (PubChem CID 81416908) has the molecular formula C15H25NS and a molecular weight of 251.44 g/mol. Its IUPAC name is N,2-diethyl-3-(5-ethylthiophen-2-yl)-2-methylcyclobutan-1-amine.

Molecular Properties

Compound NameN,2-diethyl-3-(5-ethylthiophen-2-yl)-2-methylcyclobutan-1-amine
PubChem CID81416908
Molecular FormulaC15H25NS
Molecular Weight251.44 g/mol
Exact Mass251.17
IUPAC NameN,2-diethyl-3-(5-ethylthiophen-2-yl)-2-methylcyclobutan-1-amine
SMILESCCNC1CC(c2ccc(CC)s2)C1(C)CC
InChIInChI=1S/C15H25NS/c1-5-11-8-9-13(17-11)12-10-14(16-7-3)15(12,4)6-2/h8-9,12,14,16H,5-7,10H2,1-4H3
InChIKeyPJXRDWHNTIAXIX-UHFFFAOYSA-N
XLogP4.19
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 ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-(Thiophen-2-yl)cyclohexyl)ethanamine
CID 24860900
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
(1S,2R,3R,5R)-N-[(5-tert-butylthiophen-2-yl)methyl]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine
CID 145954470
(1S,2R,3R,5R)-2,6,6-trimethyl-N-[(5-methylthiophen-2-yl)methyl]bicyclo[3.1.1]heptan-3-amine
CID 145954636
N-methyl-8-[5-(piperidin-4-ylmethyl)thiophen-2-yl]octan-1-amine
CID 16126035
N,N-dimethyl-8-[5-(piperidin-4-ylmethyl)thiophen-2-yl]octan-1-amine
CID 16126036
(1S,2R,3R,5R)-N-[(5-ethylthiophen-2-yl)methyl]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine
CID 145953771
5-Methylmethiopropamine
CID 64487873
N-methyl-1-(1-(thiophen-2-yl)cyclohexyl)ethan-1-amine
CID 68673941

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-3-(5-ethylthiophen-2-yl)-2-methylcyclobutan-1-amine?
The IUPAC name of N,2-diethyl-3-(5-ethylthiophen-2-yl)-2-methylcyclobutan-1-amine (CID 81416908) is N,2-diethyl-3-(5-ethylthiophen-2-yl)-2-methylcyclobutan-1-amine.
What is the SMILES notation for N,2-diethyl-3-(5-ethylthiophen-2-yl)-2-methylcyclobutan-1-amine?
The canonical SMILES for N,2-diethyl-3-(5-ethylthiophen-2-yl)-2-methylcyclobutan-1-amine is CCNC1CC(c2ccc(CC)s2)C1(C)CC.
What is the InChIKey of N,2-diethyl-3-(5-ethylthiophen-2-yl)-2-methylcyclobutan-1-amine?
The InChIKey is PJXRDWHNTIAXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NS/c1-5-11-8-9-13(17-11)12-10-14(16-7-3)15(12,4)6-2/h8-9,12,14,16H,5-7,10H2,1-4H3.
What are the key properties of N,2-diethyl-3-(5-ethylthiophen-2-yl)-2-methylcyclobutan-1-amine?
N,2-diethyl-3-(5-ethylthiophen-2-yl)-2-methylcyclobutan-1-amine has a molecular weight of 251.44 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-3-(5-ethylthiophen-2-yl)-2-methylcyclobutan-1-amine is sourced from PubChem (CID 81416908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).