N-[cyclopentyl(thiophen-2-yl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine

C18H30N2S — CID 43740525

IUPACN-[cyclopentyl(thiophen-2-yl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine
SMILESCC(NC(c1cccs1)C1CCCC1)C1CCN(C)CC1
InChIInChI=1S/C18H30N2S/c1-14(15-9-11-20(2)12-10-15)19-18(16-6-3-4-7-16)17-8-5-13-21-17/h5,8,13-16,18-19H,3-4,6-7,9-12H2,1-2H3
InChIKeyJRQIVMMJYBBTBI-UHFFFAOYSA-N
MW306.52 g/mol
LogP4.30
Rot. Bonds5

About N-[cyclopentyl(thiophen-2-yl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine

N-[cyclopentyl(thiophen-2-yl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine (PubChem CID 43740525) has the molecular formula C18H30N2S and a molecular weight of 306.52 g/mol. Its IUPAC name is N-[cyclopentyl(thiophen-2-yl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine.

Molecular Properties

Compound NameN-[cyclopentyl(thiophen-2-yl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine
PubChem CID43740525
Molecular FormulaC18H30N2S
Molecular Weight306.52 g/mol
Exact Mass306.21
IUPAC NameN-[cyclopentyl(thiophen-2-yl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine
SMILESCC(NC(c1cccs1)C1CCCC1)C1CCN(C)CC1
InChIInChI=1S/C18H30N2S/c1-14(15-9-11-20(2)12-10-15)19-18(16-6-3-4-7-16)17-8-5-13-21-17/h5,8,13-16,18-19H,3-4,6-7,9-12H2,1-2H3
InChIKeyJRQIVMMJYBBTBI-UHFFFAOYSA-N
XLogP4.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.52
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyclopentyl(thiophen-2-yl)methyl]-1-methylpyrrolidin-3-amine
CID 61462402
N-[cyclopropyl(thiophen-2-yl)methyl]propan-2-amine
CID 60713978
N-[cyclopentyl(thiophen-2-yl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 115888475
N-[cyclopentyl(thiophen-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 43740511
N-[cyclopentyl(thiophen-2-yl)methyl]-1-propan-2-ylpiperidin-4-amine
CID 43740557
1-(4-bromothiophen-2-yl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine
CID 107354206
1-(1-methylpiperidin-4-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 43308377
1-(4-bromophenyl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine
CID 43740581
N-[cyclopentyl(thiophen-2-yl)methyl]cyclopropanamine
CID 43754683
N-[cyclopentyl(thiophen-2-yl)methyl]octan-4-amine
CID 106023478
2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]-1-thiophen-2-ylpropan-1-amine
CID 43722952
N-[cyclopentyl(thiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 43768039

Frequently Asked Questions

What is the IUPAC name of N-[cyclopentyl(thiophen-2-yl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine?
The IUPAC name of N-[cyclopentyl(thiophen-2-yl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine (CID 43740525) is N-[cyclopentyl(thiophen-2-yl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine.
What is the SMILES notation for N-[cyclopentyl(thiophen-2-yl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine?
The canonical SMILES for N-[cyclopentyl(thiophen-2-yl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine is CC(NC(c1cccs1)C1CCCC1)C1CCN(C)CC1.
What is the InChIKey of N-[cyclopentyl(thiophen-2-yl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine?
The InChIKey is JRQIVMMJYBBTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2S/c1-14(15-9-11-20(2)12-10-15)19-18(16-6-3-4-7-16)17-8-5-13-21-17/h5,8,13-16,18-19H,3-4,6-7,9-12H2,1-2H3.
What are the key properties of N-[cyclopentyl(thiophen-2-yl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine?
N-[cyclopentyl(thiophen-2-yl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine has a molecular weight of 306.52 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopentyl(thiophen-2-yl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine is sourced from PubChem (CID 43740525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).