2-(1,5-dimethylpyrrolidin-3-yl)-2-azabicyclo[2.1.1]hexan-5-amine

C11H21N3 — CID 130961406

IUPAC2-(1,5-dimethylpyrrolidin-3-yl)-2-azabicyclo[2.1.1]hexan-5-amine
SMILESCC1CC(N2CC3CC2C3N)CN1C
InChIInChI=1S/C11H21N3/c1-7-3-9(6-13(7)2)14-5-8-4-10(14)11(8)12/h7-11H,3-6,12H2,1-2H3
InChIKeyGFPGRPNUOBWIOH-UHFFFAOYSA-N
MW195.31 g/mol
LogP0.11
Rot. Bonds1

About 2-(1,5-dimethylpyrrolidin-3-yl)-2-azabicyclo[2.1.1]hexan-5-amine

2-(1,5-dimethylpyrrolidin-3-yl)-2-azabicyclo[2.1.1]hexan-5-amine (PubChem CID 130961406) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-(1,5-dimethylpyrrolidin-3-yl)-2-azabicyclo[2.1.1]hexan-5-amine.

Molecular Properties

Compound Name2-(1,5-dimethylpyrrolidin-3-yl)-2-azabicyclo[2.1.1]hexan-5-amine
PubChem CID130961406
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name2-(1,5-dimethylpyrrolidin-3-yl)-2-azabicyclo[2.1.1]hexan-5-amine
SMILESCC1CC(N2CC3CC2C3N)CN1C
InChIInChI=1S/C11H21N3/c1-7-3-9(6-13(7)2)14-5-8-4-10(14)11(8)12/h7-11H,3-6,12H2,1-2H3
InChIKeyGFPGRPNUOBWIOH-UHFFFAOYSA-N
XLogP0.11
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,5-dimethylpyrrolidin-3-yl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102677981
1,6-dimethylpiperidine-3,4-diamine
CID 82417846
(2S,4S,5S)-1,2,5-trimethylpiperidin-4-amine
CID 98195230
(2S)-1,2,4-trimethylpyrrolidine
CID 59864868
4-bromo-1-(1,5-dimethylpyrrolidin-3-yl)-3-methylpyrazol-5-amine
CID 81467779
7-methyl-6-azatricyclo[4.2.0.02,4]octane
CID 163916457
2-(2,4-dimethylpentan-3-yl)-2-azabicyclo[2.1.1]hexan-5-amine
CID 130820042
(1R,4R,6S,7R)-2-methyl-2-azabicyclo[2.2.1]heptane-6,7-diamine
CID 129230384
(1S,4S)-2-(2-bicyclo[2.2.1]heptanyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane
CID 71031724
2-(3-methylcyclobutyl)-2-azabicyclo[2.1.1]hexane-5-carboxylic acid
CID 130820095
2-[1-(1,5-dimethylpyrrolidin-3-yl)piperidin-2-yl]-N-methylethanamine
CID 81467618
ethane;(2R,5R)-1,2,4,5-tetramethylpiperidine
CID 145040358

Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dimethylpyrrolidin-3-yl)-2-azabicyclo[2.1.1]hexan-5-amine?
The IUPAC name of 2-(1,5-dimethylpyrrolidin-3-yl)-2-azabicyclo[2.1.1]hexan-5-amine (CID 130961406) is 2-(1,5-dimethylpyrrolidin-3-yl)-2-azabicyclo[2.1.1]hexan-5-amine.
What is the SMILES notation for 2-(1,5-dimethylpyrrolidin-3-yl)-2-azabicyclo[2.1.1]hexan-5-amine?
The canonical SMILES for 2-(1,5-dimethylpyrrolidin-3-yl)-2-azabicyclo[2.1.1]hexan-5-amine is CC1CC(N2CC3CC2C3N)CN1C.
What is the InChIKey of 2-(1,5-dimethylpyrrolidin-3-yl)-2-azabicyclo[2.1.1]hexan-5-amine?
The InChIKey is GFPGRPNUOBWIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-7-3-9(6-13(7)2)14-5-8-4-10(14)11(8)12/h7-11H,3-6,12H2,1-2H3.
What are the key properties of 2-(1,5-dimethylpyrrolidin-3-yl)-2-azabicyclo[2.1.1]hexan-5-amine?
2-(1,5-dimethylpyrrolidin-3-yl)-2-azabicyclo[2.1.1]hexan-5-amine has a molecular weight of 195.31 g/mol, XLogP of 0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dimethylpyrrolidin-3-yl)-2-azabicyclo[2.1.1]hexan-5-amine is sourced from PubChem (CID 130961406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).