2-(1-methylpyrrolidin-3-yl)-5-azaspiro[2.4]heptane

C11H20N2 — CID 115015784

IUPAC2-(1-methylpyrrolidin-3-yl)-5-azaspiro[2.4]heptane
SMILESCN1CCC(C2CC23CCNC3)C1
InChIInChI=1S/C11H20N2/c1-13-5-2-9(7-13)10-6-11(10)3-4-12-8-11/h9-10,12H,2-8H2,1H3
InChIKeyJQLMUGKYROQKJD-UHFFFAOYSA-N
MW180.29 g/mol
LogP0.94
Rot. Bonds1

About 2-(1-methylpyrrolidin-3-yl)-5-azaspiro[2.4]heptane

2-(1-methylpyrrolidin-3-yl)-5-azaspiro[2.4]heptane (PubChem CID 115015784) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 2-(1-methylpyrrolidin-3-yl)-5-azaspiro[2.4]heptane.

Molecular Properties

Compound Name2-(1-methylpyrrolidin-3-yl)-5-azaspiro[2.4]heptane
PubChem CID115015784
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name2-(1-methylpyrrolidin-3-yl)-5-azaspiro[2.4]heptane
SMILESCN1CCC(C2CC23CCNC3)C1
InChIInChI=1S/C11H20N2/c1-13-5-2-9(7-13)10-6-11(10)3-4-12-8-11/h9-10,12H,2-8H2,1H3
InChIKeyJQLMUGKYROQKJD-UHFFFAOYSA-N
XLogP0.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-5-azaspiro[2.4]heptane
CID 115013095
2-(oxan-4-yl)-5-azaspiro[2.4]heptane
CID 115016004
tert-butyl 4-(5-azaspiro[2.4]heptan-2-yl)piperidine-1-carboxylate
CID 115051625
10-fluoro-7-methyl-2,7-diazaspiro[4.5]decane
CID 105435236
2-methyl-5-azaspiro[2.4]heptane
CID 91206231
3-(1-methylpyrrolidin-3-yl)piperidine
CID 82413007
5-azaspiro[2.4]heptan-2-yl-(4-methylpiperazin-1-yl)methanone;ethane
CID 166116859
(3aR,6aS)-2-methyl-5-[(3-methylpyrrolidin-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;hydrochloride
CID 120903554
4-methyl-2,3,5,5a,6,7,8,8a-octahydro-1H-cyclopenta[e][1,4]diazepine
CID 82416478
2-methyl-1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyridine
CID 130417829
(2R,3S)-5-azaspiro[2.4]heptan-2-amine;hydrochloride
CID 67879241
N-[(3-fluoropiperidin-3-yl)methyl]-1-methylpyrrolidin-3-amine
CID 105469159

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrrolidin-3-yl)-5-azaspiro[2.4]heptane?
The IUPAC name of 2-(1-methylpyrrolidin-3-yl)-5-azaspiro[2.4]heptane (CID 115015784) is 2-(1-methylpyrrolidin-3-yl)-5-azaspiro[2.4]heptane.
What is the SMILES notation for 2-(1-methylpyrrolidin-3-yl)-5-azaspiro[2.4]heptane?
The canonical SMILES for 2-(1-methylpyrrolidin-3-yl)-5-azaspiro[2.4]heptane is CN1CCC(C2CC23CCNC3)C1.
What is the InChIKey of 2-(1-methylpyrrolidin-3-yl)-5-azaspiro[2.4]heptane?
The InChIKey is JQLMUGKYROQKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-13-5-2-9(7-13)10-6-11(10)3-4-12-8-11/h9-10,12H,2-8H2,1H3.
What are the key properties of 2-(1-methylpyrrolidin-3-yl)-5-azaspiro[2.4]heptane?
2-(1-methylpyrrolidin-3-yl)-5-azaspiro[2.4]heptane has a molecular weight of 180.29 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrrolidin-3-yl)-5-azaspiro[2.4]heptane is sourced from PubChem (CID 115015784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).