3-ethyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine

C9H18N2 — CID 140501526

IUPAC3-ethyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine
SMILESCCC1NCC2CC(N)CC21
InChIInChI=1S/C9H18N2/c1-2-9-8-4-7(10)3-6(8)5-11-9/h6-9,11H,2-5,10H2,1H3
InChIKeyYVQYOLQKBFRXNG-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.72
Rot. Bonds1

About 3-ethyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine

3-ethyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine (PubChem CID 140501526) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 3-ethyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine.

Molecular Properties

Compound Name3-ethyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine
PubChem CID140501526
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name3-ethyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine
SMILESCCC1NCC2CC(N)CC21
InChIInChI=1S/C9H18N2/c1-2-9-8-4-7(10)3-6(8)5-11-9/h6-9,11H,2-5,10H2,1H3
InChIKeyYVQYOLQKBFRXNG-UHFFFAOYSA-N
XLogP0.72
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S,2R,5S)-3-azabicyclo[3.1.0]hexan-2-yl]methanamine
CID 98119965
[(1S,2R,5R)-3-azabicyclo[3.1.0]hexan-2-yl]methanamine
CID 94840557
3-cyclobutyl-2-ethylazetidine
CID 126747573
[(1R,2R,5S)-3-azabicyclo[3.1.0]hexan-2-yl]methanol
CID 124582700
[(1R,2S,5R)-3-azabicyclo[3.1.0]hexan-2-yl]methanol;hydrochloride
CID 126969951
1-ethyl-4,4-dimethyl-2,3,3a,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole
CID 130056901
(6-ethyl-5-methylpiperidin-3-yl)methanol
CID 83914164
5-cyclopropyl-2-ethylpiperidine-3-carboxylic acid
CID 83915874
(1R,5R,6S)-bicyclo[3.2.0]heptane-3,6-diamine
CID 178194389
(2R,3R)-2-ethylpyrrolidin-3-amine
CID 90066491
(2-ethylazetidin-3-yl)methanol
CID 105427056
3-ethyl-2,6-dimethyl-1,4-thiazinane 1-oxide
CID 66241652

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine?
The IUPAC name of 3-ethyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine (CID 140501526) is 3-ethyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine.
What is the SMILES notation for 3-ethyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine?
The canonical SMILES for 3-ethyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine is CCC1NCC2CC(N)CC21.
What is the InChIKey of 3-ethyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine?
The InChIKey is YVQYOLQKBFRXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-2-9-8-4-7(10)3-6(8)5-11-9/h6-9,11H,2-5,10H2,1H3.
What are the key properties of 3-ethyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine?
3-ethyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine has a molecular weight of 154.26 g/mol, XLogP of 0.72, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine is sourced from PubChem (CID 140501526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).