N-[1-(1-pyrrolidin-1-ylcyclopentyl)-2-thiophen-3-ylethyl]propan-1-amine

C18H30N2S — CID 79059228

IUPACN-[1-(1-pyrrolidin-1-ylcyclopentyl)-2-thiophen-3-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccsc1)C1(N2CCCC2)CCCC1
InChIInChI=1S/C18H30N2S/c1-2-10-19-17(14-16-7-13-21-15-16)18(8-3-4-9-18)20-11-5-6-12-20/h7,13,15,17,19H,2-6,8-12,14H2,1H3
InChIKeyVHUWDLMEJXYTLI-UHFFFAOYSA-N
MW306.52 g/mol
LogP4.07
Rot. Bonds7

About N-[1-(1-pyrrolidin-1-ylcyclopentyl)-2-thiophen-3-ylethyl]propan-1-amine

N-[1-(1-pyrrolidin-1-ylcyclopentyl)-2-thiophen-3-ylethyl]propan-1-amine (PubChem CID 79059228) has the molecular formula C18H30N2S and a molecular weight of 306.52 g/mol. Its IUPAC name is N-[1-(1-pyrrolidin-1-ylcyclopentyl)-2-thiophen-3-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(1-pyrrolidin-1-ylcyclopentyl)-2-thiophen-3-ylethyl]propan-1-amine
PubChem CID79059228
Molecular FormulaC18H30N2S
Molecular Weight306.52 g/mol
Exact Mass306.21
IUPAC NameN-[1-(1-pyrrolidin-1-ylcyclopentyl)-2-thiophen-3-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccsc1)C1(N2CCCC2)CCCC1
InChIInChI=1S/C18H30N2S/c1-2-10-19-17(14-16-7-13-21-15-16)18(8-3-4-9-18)20-11-5-6-12-20/h7,13,15,17,19H,2-6,8-12,14H2,1H3
InChIKeyVHUWDLMEJXYTLI-UHFFFAOYSA-N
XLogP4.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.52
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1-methoxycyclopentyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 104611504
N-[1-(1-methoxycyclohexyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 116763428
N-[1-(1-phenylcyclopropyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 62881756
1-[1-(2-methylpropyl)cyclopentyl]-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 115856802
1-(1-piperidin-1-ylcyclopentyl)-3-thiophen-3-ylpropan-1-ol
CID 79057210
3-methyl-1-(1-piperidin-1-ylcyclopentyl)-N-propylbut-3-en-1-amine
CID 79186303
[1-(1-methylcyclohexyl)-2-thiophen-3-ylethyl]hydrazine
CID 106831167
1-(1-ethoxycycloheptyl)-N-ethyl-2-thiophen-3-ylethanamine
CID 116771017
N-propyl-1-thiophen-3-ylpent-4-yn-2-amine
CID 105077426
N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)-1-thiophen-3-ylmethanamine
CID 79058952
N-ethyl-1-(1-piperidin-1-ylcyclopentyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 79826954
N-[1-(3,4-dihydro-2H-pyran-5-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 105179290

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-pyrrolidin-1-ylcyclopentyl)-2-thiophen-3-ylethyl]propan-1-amine?
The IUPAC name of N-[1-(1-pyrrolidin-1-ylcyclopentyl)-2-thiophen-3-ylethyl]propan-1-amine (CID 79059228) is N-[1-(1-pyrrolidin-1-ylcyclopentyl)-2-thiophen-3-ylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(1-pyrrolidin-1-ylcyclopentyl)-2-thiophen-3-ylethyl]propan-1-amine?
The canonical SMILES for N-[1-(1-pyrrolidin-1-ylcyclopentyl)-2-thiophen-3-ylethyl]propan-1-amine is CCCNC(Cc1ccsc1)C1(N2CCCC2)CCCC1.
What is the InChIKey of N-[1-(1-pyrrolidin-1-ylcyclopentyl)-2-thiophen-3-ylethyl]propan-1-amine?
The InChIKey is VHUWDLMEJXYTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2S/c1-2-10-19-17(14-16-7-13-21-15-16)18(8-3-4-9-18)20-11-5-6-12-20/h7,13,15,17,19H,2-6,8-12,14H2,1H3.
What are the key properties of N-[1-(1-pyrrolidin-1-ylcyclopentyl)-2-thiophen-3-ylethyl]propan-1-amine?
N-[1-(1-pyrrolidin-1-ylcyclopentyl)-2-thiophen-3-ylethyl]propan-1-amine has a molecular weight of 306.52 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-pyrrolidin-1-ylcyclopentyl)-2-thiophen-3-ylethyl]propan-1-amine is sourced from PubChem (CID 79059228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).