2-[5-(1,3-dimethylpyrrolidin-2-yl)-1-methylpyrrolidin-2-yl]-3-methyl-3-azabicyclo[3.1.0]hexane

C17H31N3 — CID 167217826

IUPAC2-[5-(1,3-dimethylpyrrolidin-2-yl)-1-methylpyrrolidin-2-yl]-3-methyl-3-azabicyclo[3.1.0]hexane
SMILESCC1CCN(C)C1C1CCC(C2C3CC3CN2C)N1C
InChIInChI=1S/C17H31N3/c1-11-7-8-18(2)16(11)14-5-6-15(20(14)4)17-13-9-12(13)10-19(17)3/h11-17H,5-10H2,1-4H3
InChIKeyGKYGPFVBRUFBGF-UHFFFAOYSA-N
MW277.46 g/mol
LogP1.74
Rot. Bonds2

About 2-[5-(1,3-dimethylpyrrolidin-2-yl)-1-methylpyrrolidin-2-yl]-3-methyl-3-azabicyclo[3.1.0]hexane

2-[5-(1,3-dimethylpyrrolidin-2-yl)-1-methylpyrrolidin-2-yl]-3-methyl-3-azabicyclo[3.1.0]hexane (PubChem CID 167217826) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is 2-[5-(1,3-dimethylpyrrolidin-2-yl)-1-methylpyrrolidin-2-yl]-3-methyl-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name2-[5-(1,3-dimethylpyrrolidin-2-yl)-1-methylpyrrolidin-2-yl]-3-methyl-3-azabicyclo[3.1.0]hexane
PubChem CID167217826
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name2-[5-(1,3-dimethylpyrrolidin-2-yl)-1-methylpyrrolidin-2-yl]-3-methyl-3-azabicyclo[3.1.0]hexane
SMILESCC1CCN(C)C1C1CCC(C2C3CC3CN2C)N1C
InChIInChI=1S/C17H31N3/c1-11-7-8-18(2)16(11)14-5-6-15(20(14)4)17-13-9-12(13)10-19(17)3/h11-17H,5-10H2,1-4H3
InChIKeyGKYGPFVBRUFBGF-UHFFFAOYSA-N
XLogP1.74
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[5-(1,3-dimethylpyrrolidin-2-yl)-1-methylpyrrolidin-2-yl]-3-methyl-3-azabicyclo[3.1.0]hexane with MolForge

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Related Compounds

(1S,2R,5R)-2,3-dimethyl-3-azabicyclo[3.1.0]hexane
CID 59917347
5-methyl-5-azabicyclo[2.1.0]pentane
CID 102031260
2,5,6-trimethyl-2-azabicyclo[2.2.2]octane
CID 20664057
(1S,2S,5R)-3-methyl-3-azabicyclo[3.1.0]hexane-2-carbonyl iodide
CID 170258058
(1S,2R,5R)-3-methyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane
CID 68574217
2,3,5-trimethyl-1,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[c]azepin-8-ol
CID 123323436
1-methyl-2-(2-methylcyclopropyl)aziridine
CID 123954185
(2S)-1,2,3-trimethylpyrrolidine
CID 142283455
5,6-dimethyl-5-azabicyclo[2.1.1]hexane
CID 59550543
N,2-dimethyl-2-azabicyclo[2.1.1]hexan-5-amine;molecular hydrogen;sulfane
CID 178011671
1,3,4-trimethylpiperidine
CID 14454423
(3S,4R)-1,3,4-trimethylpiperidine
CID 14454424

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1,3-dimethylpyrrolidin-2-yl)-1-methylpyrrolidin-2-yl]-3-methyl-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 2-[5-(1,3-dimethylpyrrolidin-2-yl)-1-methylpyrrolidin-2-yl]-3-methyl-3-azabicyclo[3.1.0]hexane (CID 167217826) is 2-[5-(1,3-dimethylpyrrolidin-2-yl)-1-methylpyrrolidin-2-yl]-3-methyl-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 2-[5-(1,3-dimethylpyrrolidin-2-yl)-1-methylpyrrolidin-2-yl]-3-methyl-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 2-[5-(1,3-dimethylpyrrolidin-2-yl)-1-methylpyrrolidin-2-yl]-3-methyl-3-azabicyclo[3.1.0]hexane is CC1CCN(C)C1C1CCC(C2C3CC3CN2C)N1C.
What is the InChIKey of 2-[5-(1,3-dimethylpyrrolidin-2-yl)-1-methylpyrrolidin-2-yl]-3-methyl-3-azabicyclo[3.1.0]hexane?
The InChIKey is GKYGPFVBRUFBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-11-7-8-18(2)16(11)14-5-6-15(20(14)4)17-13-9-12(13)10-19(17)3/h11-17H,5-10H2,1-4H3.
What are the key properties of 2-[5-(1,3-dimethylpyrrolidin-2-yl)-1-methylpyrrolidin-2-yl]-3-methyl-3-azabicyclo[3.1.0]hexane?
2-[5-(1,3-dimethylpyrrolidin-2-yl)-1-methylpyrrolidin-2-yl]-3-methyl-3-azabicyclo[3.1.0]hexane has a molecular weight of 277.46 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1,3-dimethylpyrrolidin-2-yl)-1-methylpyrrolidin-2-yl]-3-methyl-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 167217826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).