N-[cyclopentyl(thiophen-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine

C17H23NS2 — CID 43740511

IUPACN-[cyclopentyl(thiophen-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
SMILESCCC(NC(c1cccs1)C1CCCC1)c1cccs1
InChIInChI=1S/C17H23NS2/c1-2-14(15-9-5-11-19-15)18-17(13-7-3-4-8-13)16-10-6-12-20-16/h5-6,9-14,17-18H,2-4,7-8H2,1H3
InChIKeySBYIIIKBTZYQFU-UHFFFAOYSA-N
MW305.51 g/mol
LogP5.78
Rot. Bonds6

About N-[cyclopentyl(thiophen-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine

N-[cyclopentyl(thiophen-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine (PubChem CID 43740511) has the molecular formula C17H23NS2 and a molecular weight of 305.51 g/mol. Its IUPAC name is N-[cyclopentyl(thiophen-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-[cyclopentyl(thiophen-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
PubChem CID43740511
Molecular FormulaC17H23NS2
Molecular Weight305.51 g/mol
Exact Mass305.13
IUPAC NameN-[cyclopentyl(thiophen-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
SMILESCCC(NC(c1cccs1)C1CCCC1)c1cccs1
InChIInChI=1S/C17H23NS2/c1-2-14(15-9-5-11-19-15)18-17(13-7-3-4-8-13)16-10-6-12-20-16/h5-6,9-14,17-18H,2-4,7-8H2,1H3
InChIKeySBYIIIKBTZYQFU-UHFFFAOYSA-N
XLogP5.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.51
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyclopropyl(thiophen-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 54983030
N-[cyclopropyl(phenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 43724241
(2S)-2-[[cyclopentyl(thiophen-2-yl)methyl]amino]-2-phenylethanol
CID 107862229
N-[cyclopropyl(thiophen-2-yl)methyl]propan-2-amine
CID 60713978
N-[cyclopentyl(thiophen-2-yl)methyl]octan-4-amine
CID 106023478
N-[cyclopentyl(thiophen-2-yl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine
CID 43740525
N-[cyclopentyl(thiophen-2-yl)methyl]cyclopropanamine
CID 43754683
1-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-methylurea
CID 94152755
[cyclooctyl(thiophen-2-yl)methyl]hydrazine
CID 105255061
N-[cyclopentyl(thiophen-2-yl)methyl]hex-5-en-2-amine
CID 113437878
1-(4-bromophenyl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine
CID 43740581
N-[cyclopentyl(thiophen-2-yl)methyl]-3-ethylcyclopentan-1-amine
CID 64502337

Frequently Asked Questions

What is the IUPAC name of N-[cyclopentyl(thiophen-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-[cyclopentyl(thiophen-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine (CID 43740511) is N-[cyclopentyl(thiophen-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-[cyclopentyl(thiophen-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-[cyclopentyl(thiophen-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine is CCC(NC(c1cccs1)C1CCCC1)c1cccs1.
What is the InChIKey of N-[cyclopentyl(thiophen-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine?
The InChIKey is SBYIIIKBTZYQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NS2/c1-2-14(15-9-5-11-19-15)18-17(13-7-3-4-8-13)16-10-6-12-20-16/h5-6,9-14,17-18H,2-4,7-8H2,1H3.
What are the key properties of N-[cyclopentyl(thiophen-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine?
N-[cyclopentyl(thiophen-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine has a molecular weight of 305.51 g/mol, XLogP of 5.78, 6 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-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 43740511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).