1-[1-[1-(5-ethylthiophen-2-yl)ethyl]pyrrolidin-3-yl]piperidin-4-amine

C17H29N3S — CID 80546975

IUPAC1-[1-[1-(5-ethylthiophen-2-yl)ethyl]pyrrolidin-3-yl]piperidin-4-amine
SMILESCCc1ccc(C(C)N2CCC(N3CCC(N)CC3)C2)s1
InChIInChI=1S/C17H29N3S/c1-3-16-4-5-17(21-16)13(2)20-11-8-15(12-20)19-9-6-14(18)7-10-19/h4-5,13-15H,3,6-12,18H2,1-2H3
InChIKeyZQBHYOXUZVOFQM-UHFFFAOYSA-N
MW307.51 g/mol
LogP2.87
Rot. Bonds4

About 1-[1-[1-(5-ethylthiophen-2-yl)ethyl]pyrrolidin-3-yl]piperidin-4-amine

1-[1-[1-(5-ethylthiophen-2-yl)ethyl]pyrrolidin-3-yl]piperidin-4-amine (PubChem CID 80546975) has the molecular formula C17H29N3S and a molecular weight of 307.51 g/mol. Its IUPAC name is 1-[1-[1-(5-ethylthiophen-2-yl)ethyl]pyrrolidin-3-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[1-[1-(5-ethylthiophen-2-yl)ethyl]pyrrolidin-3-yl]piperidin-4-amine
PubChem CID80546975
Molecular FormulaC17H29N3S
Molecular Weight307.51 g/mol
Exact Mass307.21
IUPAC Name1-[1-[1-(5-ethylthiophen-2-yl)ethyl]pyrrolidin-3-yl]piperidin-4-amine
SMILESCCc1ccc(C(C)N2CCC(N3CCC(N)CC3)C2)s1
InChIInChI=1S/C17H29N3S/c1-3-16-4-5-17(21-16)13(2)20-11-8-15(12-20)19-9-6-14(18)7-10-19/h4-5,13-15H,3,6-12,18H2,1-2H3
InChIKeyZQBHYOXUZVOFQM-UHFFFAOYSA-N
XLogP2.87
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.51
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(5-ethylthiophen-2-yl)ethyl]pyrrolidin-3-amine
CID 62069492
N-[[1-[1-(5-ethylthiophen-2-yl)ethyl]piperidin-4-yl]methyl]ethanamine
CID 80550991
1-[1-[1-(1-ethylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]piperidin-4-amine
CID 80546798
1-(1-heptan-4-ylpyrrolidin-3-yl)piperidin-4-amine
CID 80552662
1-[1-(5-ethylthiophen-2-yl)ethyl]-3,5-dimethylpiperazine
CID 63863302
1-[1-[1-(1,3-thiazol-2-yl)ethyl]pyrrolidin-3-yl]piperidin-4-amine
CID 80552809
[1-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylpiperazin-2-yl]methanamine
CID 80505440
1-[1-[1-(5-fluoro-2-pyridinyl)ethyl]pyrrolidin-3-yl]piperidin-4-amine
CID 83109808
2-[1-(5-methylthiophen-2-yl)ethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929608
(3S)-1-[(1S)-1-thiophen-2-ylethyl]pyrrolidin-3-amine
CID 93316384
N-[1-(5-ethylthiophen-2-yl)ethyl]-1-propan-2-ylpiperidin-4-amine
CID 54979176
2-(5-ethylthiophen-2-yl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine
CID 102964934

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(5-ethylthiophen-2-yl)ethyl]pyrrolidin-3-yl]piperidin-4-amine?
The IUPAC name of 1-[1-[1-(5-ethylthiophen-2-yl)ethyl]pyrrolidin-3-yl]piperidin-4-amine (CID 80546975) is 1-[1-[1-(5-ethylthiophen-2-yl)ethyl]pyrrolidin-3-yl]piperidin-4-amine.
What is the SMILES notation for 1-[1-[1-(5-ethylthiophen-2-yl)ethyl]pyrrolidin-3-yl]piperidin-4-amine?
The canonical SMILES for 1-[1-[1-(5-ethylthiophen-2-yl)ethyl]pyrrolidin-3-yl]piperidin-4-amine is CCc1ccc(C(C)N2CCC(N3CCC(N)CC3)C2)s1.
What is the InChIKey of 1-[1-[1-(5-ethylthiophen-2-yl)ethyl]pyrrolidin-3-yl]piperidin-4-amine?
The InChIKey is ZQBHYOXUZVOFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3S/c1-3-16-4-5-17(21-16)13(2)20-11-8-15(12-20)19-9-6-14(18)7-10-19/h4-5,13-15H,3,6-12,18H2,1-2H3.
What are the key properties of 1-[1-[1-(5-ethylthiophen-2-yl)ethyl]pyrrolidin-3-yl]piperidin-4-amine?
1-[1-[1-(5-ethylthiophen-2-yl)ethyl]pyrrolidin-3-yl]piperidin-4-amine has a molecular weight of 307.51 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(5-ethylthiophen-2-yl)ethyl]pyrrolidin-3-yl]piperidin-4-amine is sourced from PubChem (CID 80546975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).