N-[cyclopentyl(thiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine

C16H26N2S — CID 43768039

IUPACN-[cyclopentyl(thiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
SMILESc1csc(C(NCCN2CCCC2)C2CCCC2)c1
InChIInChI=1S/C16H26N2S/c1-2-7-14(6-1)16(15-8-5-13-19-15)17-9-12-18-10-3-4-11-18/h5,8,13-14,16-17H,1-4,6-7,9-12H2
InChIKeySEWGDVBOWGWWJU-UHFFFAOYSA-N
MW278.46 g/mol
LogP3.66
Rot. Bonds6

About N-[cyclopentyl(thiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine

N-[cyclopentyl(thiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine (PubChem CID 43768039) has the molecular formula C16H26N2S and a molecular weight of 278.46 g/mol. Its IUPAC name is N-[cyclopentyl(thiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound NameN-[cyclopentyl(thiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
PubChem CID43768039
Molecular FormulaC16H26N2S
Molecular Weight278.46 g/mol
Exact Mass278.18
IUPAC NameN-[cyclopentyl(thiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
SMILESc1csc(C(NCCN2CCCC2)C2CCCC2)c1
InChIInChI=1S/C16H26N2S/c1-2-7-14(6-1)16(15-8-5-13-19-15)17-9-12-18-10-3-4-11-18/h5,8,13-14,16-17H,1-4,6-7,9-12H2
InChIKeySEWGDVBOWGWWJU-UHFFFAOYSA-N
XLogP3.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyclopentyl(thiophen-2-yl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 115888475
2-methyl-N-(2-piperidin-1-ylethyl)-1-thiophen-2-ylpropan-1-amine
CID 60697417
N-[cyclopropyl(thiophen-2-yl)methyl]propan-1-amine
CID 43495964
N-[cyclopentyl(thiophen-2-yl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 43773858
N-benzyl-1-cyclopentyl-1-thiophen-2-ylmethanamine
CID 43740592
N-[cyclopentyl(thiophen-2-yl)methyl]-1-methylpyrrolidin-3-amine
CID 61462402
2-butoxy-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine
CID 61170868
2-[[cyclopropyl(thiophen-2-yl)methyl]amino]-1-pyrrolidin-1-ylethanone
CID 113220009
1-cyclopentyl-N-[(3,5-difluorophenyl)methyl]-1-thiophen-2-ylmethanamine
CID 103851306
N-[2-(4-cyclopentylpiperazin-1-yl)ethyl]-1-thiophen-2-ylethanamine
CID 62561259
2-(5-chlorothiophen-2-yl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine
CID 106041995
(1S)-1-cyclopentyl-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-thiophen-2-ylmethanamine
CID 97159489

Frequently Asked Questions

What is the IUPAC name of N-[cyclopentyl(thiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine?
The IUPAC name of N-[cyclopentyl(thiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine (CID 43768039) is N-[cyclopentyl(thiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for N-[cyclopentyl(thiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for N-[cyclopentyl(thiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine is c1csc(C(NCCN2CCCC2)C2CCCC2)c1.
What is the InChIKey of N-[cyclopentyl(thiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine?
The InChIKey is SEWGDVBOWGWWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S/c1-2-7-14(6-1)16(15-8-5-13-19-15)17-9-12-18-10-3-4-11-18/h5,8,13-14,16-17H,1-4,6-7,9-12H2.
What are the key properties of N-[cyclopentyl(thiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine?
N-[cyclopentyl(thiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine has a molecular weight of 278.46 g/mol, XLogP of 3.66, 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]-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 43768039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).