N-[cyclopentyl(thiophen-2-yl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine

C17H23N3S — CID 102612493

IUPACN-[cyclopentyl(thiophen-2-yl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine
SMILESCc1nccnc1C(C)NC(c1cccs1)C1CCCC1
InChIInChI=1S/C17H23N3S/c1-12-16(19-10-9-18-12)13(2)20-17(14-6-3-4-7-14)15-8-5-11-21-15/h5,8-11,13-14,17,20H,3-4,6-7H2,1-2H3
InChIKeyKRPWRVIJLOYRLL-UHFFFAOYSA-N
MW301.46 g/mol
LogP4.43
Rot. Bonds5

About N-[cyclopentyl(thiophen-2-yl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine

N-[cyclopentyl(thiophen-2-yl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine (PubChem CID 102612493) has the molecular formula C17H23N3S and a molecular weight of 301.46 g/mol. Its IUPAC name is N-[cyclopentyl(thiophen-2-yl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine.

Molecular Properties

Compound NameN-[cyclopentyl(thiophen-2-yl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine
PubChem CID102612493
Molecular FormulaC17H23N3S
Molecular Weight301.46 g/mol
Exact Mass301.16
IUPAC NameN-[cyclopentyl(thiophen-2-yl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine
SMILESCc1nccnc1C(C)NC(c1cccs1)C1CCCC1
InChIInChI=1S/C17H23N3S/c1-12-16(19-10-9-18-12)13(2)20-17(14-6-3-4-7-14)15-8-5-11-21-15/h5,8-11,13-14,17,20H,3-4,6-7H2,1-2H3
InChIKeyKRPWRVIJLOYRLL-UHFFFAOYSA-N
XLogP4.43
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[cyclopropyl(thiophen-2-yl)methyl]propan-2-amine
CID 60713978
1-(4-bromophenyl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine
CID 43740581
1-(4-bromothiophen-2-yl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine
CID 107354206
1-(3-bromophenyl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine
CID 43740628
N-[cyclopentyl(thiophen-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 43740511
N-[cyclopentyl(thiophen-2-yl)methyl]hex-5-en-2-amine
CID 113437878
N-[cyclopentyl(thiophen-2-yl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine
CID 43740525
N-[cyclopentyl(thiophen-2-yl)methyl]cyclopropanamine
CID 43754683
N-(1-thiophen-2-ylethyl)cyclohexanamine
CID 25219735
N-[cyclopentyl(thiophen-2-yl)methyl]-4-methylaniline
CID 43765836
N-[cyclopropyl(thiophen-2-yl)methyl]-1-(2-fluorophenyl)ethanamine
CID 54983114
[cyclooctyl(thiophen-2-yl)methyl]hydrazine
CID 105255061

Frequently Asked Questions

What is the IUPAC name of N-[cyclopentyl(thiophen-2-yl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine?
The IUPAC name of N-[cyclopentyl(thiophen-2-yl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine (CID 102612493) is N-[cyclopentyl(thiophen-2-yl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine.
What is the SMILES notation for N-[cyclopentyl(thiophen-2-yl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine?
The canonical SMILES for N-[cyclopentyl(thiophen-2-yl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine is Cc1nccnc1C(C)NC(c1cccs1)C1CCCC1.
What is the InChIKey of N-[cyclopentyl(thiophen-2-yl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine?
The InChIKey is KRPWRVIJLOYRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3S/c1-12-16(19-10-9-18-12)13(2)20-17(14-6-3-4-7-14)15-8-5-11-21-15/h5,8-11,13-14,17,20H,3-4,6-7H2,1-2H3.
What are the key properties of N-[cyclopentyl(thiophen-2-yl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine?
N-[cyclopentyl(thiophen-2-yl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine has a molecular weight of 301.46 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopentyl(thiophen-2-yl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine is sourced from PubChem (CID 102612493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).