N-(2-pyrrolidin-2-ylcyclopentyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine

C17H31N3 — CID 79536385

IUPACN-(2-pyrrolidin-2-ylcyclopentyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
SMILESC1CNC(C2CCCC2NC2CCN3CCCCC23)C1
InChIInChI=1S/C17H31N3/c1-2-11-20-12-9-16(17(20)8-1)19-15-6-3-5-13(15)14-7-4-10-18-14/h13-19H,1-12H2
InChIKeyBVSMIDJRVSBEDN-UHFFFAOYSA-N
MW277.46 g/mol
LogP2.12
Rot. Bonds3

About N-(2-pyrrolidin-2-ylcyclopentyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine

N-(2-pyrrolidin-2-ylcyclopentyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (PubChem CID 79536385) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is N-(2-pyrrolidin-2-ylcyclopentyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine.

Molecular Properties

Compound NameN-(2-pyrrolidin-2-ylcyclopentyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
PubChem CID79536385
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC NameN-(2-pyrrolidin-2-ylcyclopentyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
SMILESC1CNC(C2CCCC2NC2CCN3CCCCC23)C1
InChIInChI=1S/C17H31N3/c1-2-11-20-12-9-16(17(20)8-1)19-15-6-3-5-13(15)14-7-4-10-18-14/h13-19H,1-12H2
InChIKeyBVSMIDJRVSBEDN-UHFFFAOYSA-N
XLogP2.12
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-pyrrolidin-2-ylcyclopentyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine with MolForge

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Related Compounds

N-(2-pyrrolidin-2-ylcyclohexyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 79536664
(4aR,5S,8aR)-5-pyrrolidin-1-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;(4aS,5R,8aS)-5-pyrrolidin-1-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
CID 160750603
N-(2-pyrrolidin-2-ylcyclohexyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 79539262
trans-(1S,2S)-2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)cyclopentan-1-ol
CID 102733298
1,3-dimethyl-N-(2-piperidin-2-ylcyclopentyl)piperidin-4-amine
CID 114503181
N-(2-methylcyclopropyl)-2-piperidin-2-ylcyclopentan-1-amine
CID 79544805
2-methyl-N-(2-piperidin-2-ylcyclopentyl)cyclopentan-1-amine
CID 79545248
2-methyl-N-(2-piperidin-2-ylcyclohexyl)cyclohexan-1-amine
CID 79553482
2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)cyclopentane-1-carbonitrile
CID 62741172
[2-[(2-piperidin-2-ylcyclopentyl)amino]cyclohexyl]methanol
CID 106359616
N-(2-pyrrolidin-2-ylcyclopentyl)bicyclo[2.2.1]heptan-2-amine
CID 79544366
N-cyclooctyl-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 43694307

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-2-ylcyclopentyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The IUPAC name of N-(2-pyrrolidin-2-ylcyclopentyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (CID 79536385) is N-(2-pyrrolidin-2-ylcyclopentyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine.
What is the SMILES notation for N-(2-pyrrolidin-2-ylcyclopentyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The canonical SMILES for N-(2-pyrrolidin-2-ylcyclopentyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine is C1CNC(C2CCCC2NC2CCN3CCCCC23)C1.
What is the InChIKey of N-(2-pyrrolidin-2-ylcyclopentyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The InChIKey is BVSMIDJRVSBEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-2-11-20-12-9-16(17(20)8-1)19-15-6-3-5-13(15)14-7-4-10-18-14/h13-19H,1-12H2.
What are the key properties of N-(2-pyrrolidin-2-ylcyclopentyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
N-(2-pyrrolidin-2-ylcyclopentyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine has a molecular weight of 277.46 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-2-ylcyclopentyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine is sourced from PubChem (CID 79536385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).