2-(4-methylpyrrolidin-3-yl)-2-azabicyclo[2.2.1]heptane

C11H20N2 — CID 81460095

IUPAC2-(4-methylpyrrolidin-3-yl)-2-azabicyclo[2.2.1]heptane
SMILESCC1CNCC1N1CC2CCC1C2
InChIInChI=1S/C11H20N2/c1-8-5-12-6-11(8)13-7-9-2-3-10(13)4-9/h8-12H,2-7H2,1H3
InChIKeySPAYMYVHSIJZAW-UHFFFAOYSA-N
MW180.29 g/mol
LogP1.08
Rot. Bonds1

About 2-(4-methylpyrrolidin-3-yl)-2-azabicyclo[2.2.1]heptane

2-(4-methylpyrrolidin-3-yl)-2-azabicyclo[2.2.1]heptane (PubChem CID 81460095) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 2-(4-methylpyrrolidin-3-yl)-2-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(4-methylpyrrolidin-3-yl)-2-azabicyclo[2.2.1]heptane
PubChem CID81460095
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name2-(4-methylpyrrolidin-3-yl)-2-azabicyclo[2.2.1]heptane
SMILESCC1CNCC1N1CC2CCC1C2
InChIInChI=1S/C11H20N2/c1-8-5-12-6-11(8)13-7-9-2-3-10(13)4-9/h8-12H,2-7H2,1H3
InChIKeySPAYMYVHSIJZAW-UHFFFAOYSA-N
XLogP1.08
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 ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-Azabicyclo(2.2.1)heptan-2-yl)ethan-1-amine
CID 57640033
(1S,3R,4R)-3-[[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]methyl]-2-azabicyclo[2.2.1]heptane
CID 11138320
(5S)-7-(2-cyclopentylethyl)-1,7-diazaspiro[4.4]nonane
CID 171359299
(1S,4R,7R)-6-fluoro-2-propan-2-yl-2-azabicyclo[2.2.1]heptan-7-amine
CID 164821466
(1S,3R,4R)-3-(pyrrolidin-1-ylmethyl)-2-azabicyclo[2.2.1]heptane
CID 10932037
lithium (1S,3R,4R)-3-[[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]methyl]-2-azanidabicyclo[2.2.1]heptane
CID 101377044
2-(2-azabicyclo[2.2.1]heptan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62569419
(1S,3R,4R)-3-[[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]methyl]-2-azabicyclo[2.2.1]heptane
CID 11031061
(1S,3R,4R)-3-[[(2R,5R)-2,5-diethylpyrrolidin-1-yl]methyl]-2-azabicyclo[2.2.1]heptane
CID 11096621
2-Isobutyl-2,5-diazabicyclo[2.2.1]heptane
CID 2760902
(1R,4R)-2-(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane
CID 11888014
3-Methyl-2-(pyrrolidin-1-yl)methyl piperidine
CID 15165784

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpyrrolidin-3-yl)-2-azabicyclo[2.2.1]heptane?
The IUPAC name of 2-(4-methylpyrrolidin-3-yl)-2-azabicyclo[2.2.1]heptane (CID 81460095) is 2-(4-methylpyrrolidin-3-yl)-2-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(4-methylpyrrolidin-3-yl)-2-azabicyclo[2.2.1]heptane?
The canonical SMILES for 2-(4-methylpyrrolidin-3-yl)-2-azabicyclo[2.2.1]heptane is CC1CNCC1N1CC2CCC1C2.
What is the InChIKey of 2-(4-methylpyrrolidin-3-yl)-2-azabicyclo[2.2.1]heptane?
The InChIKey is SPAYMYVHSIJZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-8-5-12-6-11(8)13-7-9-2-3-10(13)4-9/h8-12H,2-7H2,1H3.
What are the key properties of 2-(4-methylpyrrolidin-3-yl)-2-azabicyclo[2.2.1]heptane?
2-(4-methylpyrrolidin-3-yl)-2-azabicyclo[2.2.1]heptane has a molecular weight of 180.29 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpyrrolidin-3-yl)-2-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 81460095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).