N,N-diethyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

C11H22N2 — CID 130606432

IUPACN,N-diethyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESCCN(CC)C1CCN2CCCC12
InChIInChI=1S/C11H22N2/c1-3-12(4-2)11-7-9-13-8-5-6-10(11)13/h10-11H,3-9H2,1-2H3
InChIKeyGHSDJBICXOWGPV-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.56
Rot. Bonds3

About N,N-diethyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

N,N-diethyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (PubChem CID 130606432) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is N,N-diethyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.

Molecular Properties

Compound NameN,N-diethyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
PubChem CID130606432
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC NameN,N-diethyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESCCN(CC)C1CCN2CCCC12
InChIInChI=1S/C11H22N2/c1-3-12(4-2)11-7-9-13-8-5-6-10(11)13/h10-11H,3-9H2,1-2H3
InChIKeyGHSDJBICXOWGPV-UHFFFAOYSA-N
XLogP1.56
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-N'-methylpropane-1,3-diamine
CID 82855350
N'-cyclopropyl-N'-ethyl-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)ethane-1,2-diamine
CID 107962477
N-butyl-N-(pyrrolidin-2-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 106605079
N-[2-(3,4-dichlorophenyl)ethyl]-N-ethyl-2-pyrrolidin-1-ylcyclohexan-1-amine
CID 18930461
1-ethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
CID 20980731
1-(2-aminocyclopentyl)-N,N-diethylpyrrolidin-3-amine
CID 63164633
(8aR)-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 155305626
1-(2-aminocyclooctyl)-N,N-diethylpyrrolidin-3-amine
CID 63169813
1-[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]-N-methylmethanamine
CID 129375491
[(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methanamine
CID 129361363
N,N-diethyl-1-azabicyclo[2.2.2]octan-2-amine
CID 54348814
trans-(1R,2R)-2-(4-ethylazepan-1-yl)cyclopentan-1-ol
CID 102734787

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The IUPAC name of N,N-diethyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (CID 130606432) is N,N-diethyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.
What is the SMILES notation for N,N-diethyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The canonical SMILES for N,N-diethyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is CCN(CC)C1CCN2CCCC12.
What is the InChIKey of N,N-diethyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The InChIKey is GHSDJBICXOWGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-3-12(4-2)11-7-9-13-8-5-6-10(11)13/h10-11H,3-9H2,1-2H3.
What are the key properties of N,N-diethyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
N,N-diethyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine has a molecular weight of 182.31 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is sourced from PubChem (CID 130606432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).