N-[3-(5-ethylthiophen-2-yl)-2-methylpropyl]cyclobutanamine

C14H23NS — CID 114899203

IUPACN-[3-(5-ethylthiophen-2-yl)-2-methylpropyl]cyclobutanamine
SMILESCCc1ccc(CC(C)CNC2CCC2)s1
InChIInChI=1S/C14H23NS/c1-3-13-7-8-14(16-13)9-11(2)10-15-12-5-4-6-12/h7-8,11-12,15H,3-6,9-10H2,1-2H3
InChIKeyPQCXPMYARBHFOX-UHFFFAOYSA-N
MW237.41 g/mol
LogP3.63
Rot. Bonds6

About N-[3-(5-ethylthiophen-2-yl)-2-methylpropyl]cyclobutanamine

N-[3-(5-ethylthiophen-2-yl)-2-methylpropyl]cyclobutanamine (PubChem CID 114899203) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is N-[3-(5-ethylthiophen-2-yl)-2-methylpropyl]cyclobutanamine.

Molecular Properties

Compound NameN-[3-(5-ethylthiophen-2-yl)-2-methylpropyl]cyclobutanamine
PubChem CID114899203
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC NameN-[3-(5-ethylthiophen-2-yl)-2-methylpropyl]cyclobutanamine
SMILESCCc1ccc(CC(C)CNC2CCC2)s1
InChIInChI=1S/C14H23NS/c1-3-13-7-8-14(16-13)9-11(2)10-15-12-5-4-6-12/h7-8,11-12,15H,3-6,9-10H2,1-2H3
InChIKeyPQCXPMYARBHFOX-UHFFFAOYSA-N
XLogP3.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-ethylthiophen-2-yl)methyl]cycloheptanamine
CID 43346127
1-cyclobutyl-2-(5-ethylthiophen-2-yl)ethanol
CID 64986887
N-[2-(2-chlorophenyl)-3-(5-ethylthiophen-2-yl)propyl]cyclopropanamine
CID 79436727
2-cyclopentyl-3-(5-ethylthiophen-2-yl)-N-propylpropan-1-amine
CID 112569956
N-[2-(3-bromophenyl)-3-(5-ethylthiophen-2-yl)propyl]cyclopropanamine
CID 79430577
(1S)-1-cyclopentyl-N-[(5-ethylthiophen-2-yl)methyl]ethanamine
CID 81386418
N-[3-(2-chloro-3-fluorophenyl)-2-methylpropyl]cyclobutanamine
CID 114899173
N-[2-[(5-bromothiophen-2-yl)methyl]butyl]cyclopropanamine
CID 62531192
N-(2-methylbutyl)cyclopentanamine
CID 43200714
N-[(5-ethylthiophen-2-yl)methyl]oxan-4-amine
CID 43610154
N-[1-cyclohexyl-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 63413397
N-[[1-[(5-ethylthiophen-2-yl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 55106645

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-ethylthiophen-2-yl)-2-methylpropyl]cyclobutanamine?
The IUPAC name of N-[3-(5-ethylthiophen-2-yl)-2-methylpropyl]cyclobutanamine (CID 114899203) is N-[3-(5-ethylthiophen-2-yl)-2-methylpropyl]cyclobutanamine.
What is the SMILES notation for N-[3-(5-ethylthiophen-2-yl)-2-methylpropyl]cyclobutanamine?
The canonical SMILES for N-[3-(5-ethylthiophen-2-yl)-2-methylpropyl]cyclobutanamine is CCc1ccc(CC(C)CNC2CCC2)s1.
What is the InChIKey of N-[3-(5-ethylthiophen-2-yl)-2-methylpropyl]cyclobutanamine?
The InChIKey is PQCXPMYARBHFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-3-13-7-8-14(16-13)9-11(2)10-15-12-5-4-6-12/h7-8,11-12,15H,3-6,9-10H2,1-2H3.
What are the key properties of N-[3-(5-ethylthiophen-2-yl)-2-methylpropyl]cyclobutanamine?
N-[3-(5-ethylthiophen-2-yl)-2-methylpropyl]cyclobutanamine has a molecular weight of 237.41 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-ethylthiophen-2-yl)-2-methylpropyl]cyclobutanamine is sourced from PubChem (CID 114899203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).