2-ethyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine

C9H17N — CID 89311495

IUPAC2-ethyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
SMILESCCC1CC2CCCN2C1
InChIInChI=1S/C9H17N/c1-2-8-6-9-4-3-5-10(9)7-8/h8-9H,2-7H2,1H3
InChIKeyPQLCXMPGVAWDAC-UHFFFAOYSA-N
MW139.24 g/mol
LogP1.88
Rot. Bonds1

About 2-ethyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine

2-ethyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine (PubChem CID 89311495) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 2-ethyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine.

Molecular Properties

Compound Name2-ethyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
PubChem CID89311495
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name2-ethyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
SMILESCCC1CC2CCCN2C1
InChIInChI=1S/C9H17N/c1-2-8-6-9-4-3-5-10(9)7-8/h8-9H,2-7H2,1H3
InChIKeyPQLCXMPGVAWDAC-UHFFFAOYSA-N
XLogP1.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-ethylcyclopentyl)piperidin-3-amine
CID 64513357
1-cyclopropyl-3-ethylpiperidine
CID 76560892
[1-(3-ethylcyclopentyl)piperidin-3-yl]methanamine
CID 64513588
[(2R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl]methanol
CID 92544933
2-(3-ethylcyclohexyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929792
3-ethyl-1-azabicyclo[5.2.0]nonane
CID 89423692
3-ethyl-1-azabicyclo[3.1.0]hexane
CID 59715797
1-cyclopentyl-3-ethylazetidine
CID 126716457
N-[[1-(3-ethylcyclohexyl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 64741079
1-(3-ethylcyclohexyl)-3-methylpiperidin-4-one
CID 64741839
1-cyclohexyl-5-ethylpiperidin-3-amine
CID 83989282
(2R,8R)-2-but-3-enyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 23245267

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?
The IUPAC name of 2-ethyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine (CID 89311495) is 2-ethyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine.
What is the SMILES notation for 2-ethyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?
The canonical SMILES for 2-ethyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine is CCC1CC2CCCN2C1.
What is the InChIKey of 2-ethyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?
The InChIKey is PQLCXMPGVAWDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-2-8-6-9-4-3-5-10(9)7-8/h8-9H,2-7H2,1H3.
What are the key properties of 2-ethyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?
2-ethyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine has a molecular weight of 139.24 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine is sourced from PubChem (CID 89311495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).