1-(1-pyrrolidin-1-ylcyclopentyl)-3-thiophen-2-ylpropan-1-amine

C16H26N2S — CID 79057434

IUPAC1-(1-pyrrolidin-1-ylcyclopentyl)-3-thiophen-2-ylpropan-1-amine
SMILESNC(CCc1cccs1)C1(N2CCCC2)CCCC1
InChIInChI=1S/C16H26N2S/c17-15(8-7-14-6-5-13-19-14)16(9-1-2-10-16)18-11-3-4-12-18/h5-6,13,15H,1-4,7-12,17H2
InChIKeyMDTVHCZGYXXPKT-UHFFFAOYSA-N
MW278.46 g/mol
LogP3.42
Rot. Bonds5

About 1-(1-pyrrolidin-1-ylcyclopentyl)-3-thiophen-2-ylpropan-1-amine

1-(1-pyrrolidin-1-ylcyclopentyl)-3-thiophen-2-ylpropan-1-amine (PubChem CID 79057434) has the molecular formula C16H26N2S and a molecular weight of 278.46 g/mol. Its IUPAC name is 1-(1-pyrrolidin-1-ylcyclopentyl)-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name1-(1-pyrrolidin-1-ylcyclopentyl)-3-thiophen-2-ylpropan-1-amine
PubChem CID79057434
Molecular FormulaC16H26N2S
Molecular Weight278.46 g/mol
Exact Mass278.18
IUPAC Name1-(1-pyrrolidin-1-ylcyclopentyl)-3-thiophen-2-ylpropan-1-amine
SMILESNC(CCc1cccs1)C1(N2CCCC2)CCCC1
InChIInChI=1S/C16H26N2S/c17-15(8-7-14-6-5-13-19-14)16(9-1-2-10-16)18-11-3-4-12-18/h5-6,13,15H,1-4,7-12,17H2
InChIKeyMDTVHCZGYXXPKT-UHFFFAOYSA-N
XLogP3.42
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-piperidin-1-ylcyclopentyl)-3-thiophen-2-ylpropan-1-amine
CID 79059762
1-(1-methylcyclopentyl)-3-thiophen-2-ylpropan-1-amine
CID 115860707
1-(1-morpholin-4-ylcyclopentyl)-3-thiophen-2-ylpropan-1-ol
CID 79059782
4-methyl-4-pyrrolidin-1-yl-1-thiophen-2-ylpentan-3-amine
CID 79056548
1-(1-piperidin-1-ylcyclopentyl)-3-thiophen-2-ylpropan-1-one
CID 79058490
1-(2-thiophen-2-ylethyl)cyclopentan-1-amine
CID 63774974
1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-3-thiophen-2-ylpropan-1-amine
CID 79969930
N-[(1-pyrrolidin-1-ylcyclopentyl)-thiophen-2-ylmethyl]ethanamine
CID 79058723
1-(1-methylcyclohexyl)-3-thiophen-2-ylpropan-1-ol
CID 106830888
1-(1-pyrrolidin-1-ylcyclopentyl)pent-4-en-1-amine
CID 79059468
1-(1-ethylcyclopentyl)-3-thiophen-2-ylpropan-1-ol
CID 115800364
N-ethyl-1-(1-morpholin-4-ylcyclopentyl)-2-thiophen-2-ylethanamine
CID 79060861

Frequently Asked Questions

What is the IUPAC name of 1-(1-pyrrolidin-1-ylcyclopentyl)-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of 1-(1-pyrrolidin-1-ylcyclopentyl)-3-thiophen-2-ylpropan-1-amine (CID 79057434) is 1-(1-pyrrolidin-1-ylcyclopentyl)-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 1-(1-pyrrolidin-1-ylcyclopentyl)-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 1-(1-pyrrolidin-1-ylcyclopentyl)-3-thiophen-2-ylpropan-1-amine is NC(CCc1cccs1)C1(N2CCCC2)CCCC1.
What is the InChIKey of 1-(1-pyrrolidin-1-ylcyclopentyl)-3-thiophen-2-ylpropan-1-amine?
The InChIKey is MDTVHCZGYXXPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S/c17-15(8-7-14-6-5-13-19-14)16(9-1-2-10-16)18-11-3-4-12-18/h5-6,13,15H,1-4,7-12,17H2.
What are the key properties of 1-(1-pyrrolidin-1-ylcyclopentyl)-3-thiophen-2-ylpropan-1-amine?
1-(1-pyrrolidin-1-ylcyclopentyl)-3-thiophen-2-ylpropan-1-amine has a molecular weight of 278.46 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-pyrrolidin-1-ylcyclopentyl)-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 79057434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).