2-butoxy-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine

C16H27NOS — CID 61170868

IUPAC2-butoxy-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine
SMILESCCCCOCCNC(c1cccs1)C1CCCC1
InChIInChI=1S/C16H27NOS/c1-2-3-11-18-12-10-17-16(14-7-4-5-8-14)15-9-6-13-19-15/h6,9,13-14,16-17H,2-5,7-8,10-12H2,1H3
InChIKeyBKIFTKWJDYQSAM-UHFFFAOYSA-N
MW281.46 g/mol
LogP4.39
Rot. Bonds9

About 2-butoxy-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine

2-butoxy-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine (PubChem CID 61170868) has the molecular formula C16H27NOS and a molecular weight of 281.46 g/mol. Its IUPAC name is 2-butoxy-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-butoxy-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine
PubChem CID61170868
Molecular FormulaC16H27NOS
Molecular Weight281.46 g/mol
Exact Mass281.18
IUPAC Name2-butoxy-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine
SMILESCCCCOCCNC(c1cccs1)C1CCCC1
InChIInChI=1S/C16H27NOS/c1-2-3-11-18-12-10-17-16(14-7-4-5-8-14)15-9-6-13-19-15/h6,9,13-14,16-17H,2-5,7-8,10-12H2,1H3
InChIKeyBKIFTKWJDYQSAM-UHFFFAOYSA-N
XLogP4.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.46
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[cyclopropyl(thiophen-2-yl)methyl]propan-1-amine
CID 43495964
(1S)-N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1-thiophen-2-ylethanamine
CID 104562673
N-[cyclopentyl(thiophen-2-yl)methyl]-2-ethylhexan-1-amine
CID 43767528
N-[cyclopentyl(thiophen-2-yl)methyl]-2,2-dimethoxyethanamine
CID 60816179
N-[cyclopentyl(thiophen-2-yl)methyl]octan-4-amine
CID 106023478
N-[cyclopropyl(thiophen-2-yl)methyl]-3-(2-methylpropoxy)propan-1-amine
CID 54982977
N-[(4-ethylcyclohexyl)-thiophen-2-ylmethyl]propan-1-amine
CID 64776035
N-[cyclopentyl(thiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 43768039
N-[(4-tert-butylcyclohexyl)-thiophen-2-ylmethyl]propan-1-amine
CID 63501793
N-[cyclopentyl(thiophen-2-yl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 115888475
1-cyclopentyl-N-[(1-ethylpyrrol-3-yl)methyl]-1-thiophen-2-ylmethanamine
CID 66414954
N-[cyclopentyl(thiophen-2-yl)methyl]-2-(3-methylphenyl)ethanamine
CID 63478842

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine?
The IUPAC name of 2-butoxy-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine (CID 61170868) is 2-butoxy-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-butoxy-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine?
The canonical SMILES for 2-butoxy-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine is CCCCOCCNC(c1cccs1)C1CCCC1.
What is the InChIKey of 2-butoxy-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine?
The InChIKey is BKIFTKWJDYQSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NOS/c1-2-3-11-18-12-10-17-16(14-7-4-5-8-14)15-9-6-13-19-15/h6,9,13-14,16-17H,2-5,7-8,10-12H2,1H3.
What are the key properties of 2-butoxy-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine?
2-butoxy-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine has a molecular weight of 281.46 g/mol, XLogP of 4.39, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 61170868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).