N-(1-thiophen-3-ylethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

C13H20N2S — CID 62090694

IUPACN-(1-thiophen-3-ylethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESCC(NC1CCN2CCCC12)c1ccsc1
InChIInChI=1S/C13H20N2S/c1-10(11-5-8-16-9-11)14-12-4-7-15-6-2-3-13(12)15/h5,8-10,12-14H,2-4,6-7H2,1H3
InChIKeyOVPASYIUAIPPCQ-UHFFFAOYSA-N
MW236.38 g/mol
LogP2.64
Rot. Bonds3

About N-(1-thiophen-3-ylethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

N-(1-thiophen-3-ylethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (PubChem CID 62090694) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is N-(1-thiophen-3-ylethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.

Molecular Properties

Compound NameN-(1-thiophen-3-ylethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
PubChem CID62090694
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC NameN-(1-thiophen-3-ylethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESCC(NC1CCN2CCCC12)c1ccsc1
InChIInChI=1S/C13H20N2S/c1-10(11-5-8-16-9-11)14-12-4-7-15-6-2-3-13(12)15/h5,8-10,12-14H,2-4,6-7H2,1H3
InChIKeyOVPASYIUAIPPCQ-UHFFFAOYSA-N
XLogP2.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1S,2S)-2-(1-thiophen-3-ylethylamino)cyclopentan-1-ol
CID 102733418
N-[1-(4-fluorophenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 43694434
2-(1-thiophen-3-ylethylamino)cyclopentane-1-carbonitrile
CID 62841523
N-[1-[4-(dimethylamino)phenyl]ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 43783408
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 43752346
N-[(1S)-1-(2-methylphenyl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853310
[4-[1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]phenyl]urea
CID 43792627
N-[(1-methylpiperidin-3-yl)methyl]-1-thiophen-3-ylethanamine
CID 62090707
4-[1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]-2-methoxyphenol
CID 43752358
N-(1-thieno[3,2-b]pyridin-6-ylethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 64828411
2,5-dimethyl-N-(1-thiophen-3-ylethyl)cyclohexan-1-amine
CID 64761315
N-[3-[1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]phenyl]acetamide
CID 43752163

Frequently Asked Questions

What is the IUPAC name of N-(1-thiophen-3-ylethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The IUPAC name of N-(1-thiophen-3-ylethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (CID 62090694) is N-(1-thiophen-3-ylethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.
What is the SMILES notation for N-(1-thiophen-3-ylethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The canonical SMILES for N-(1-thiophen-3-ylethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is CC(NC1CCN2CCCC12)c1ccsc1.
What is the InChIKey of N-(1-thiophen-3-ylethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The InChIKey is OVPASYIUAIPPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c1-10(11-5-8-16-9-11)14-12-4-7-15-6-2-3-13(12)15/h5,8-10,12-14H,2-4,6-7H2,1H3.
What are the key properties of N-(1-thiophen-3-ylethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
N-(1-thiophen-3-ylethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine has a molecular weight of 236.38 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-thiophen-3-ylethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is sourced from PubChem (CID 62090694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).