3-[(4-methylpyrrolidin-3-yl)methyl]-3-azabicyclo[4.1.0]heptane

C12H22N2 — CID 164650694

IUPAC3-[(4-methylpyrrolidin-3-yl)methyl]-3-azabicyclo[4.1.0]heptane
SMILESCC1CNCC1CN1CCC2CC2C1
InChIInChI=1S/C12H22N2/c1-9-5-13-6-12(9)8-14-3-2-10-4-11(10)7-14/h9-13H,2-8H2,1H3
InChIKeyVMUKYCQKHWXRFB-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.18
Rot. Bonds2

About 3-[(4-methylpyrrolidin-3-yl)methyl]-3-azabicyclo[4.1.0]heptane

3-[(4-methylpyrrolidin-3-yl)methyl]-3-azabicyclo[4.1.0]heptane (PubChem CID 164650694) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 3-[(4-methylpyrrolidin-3-yl)methyl]-3-azabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name3-[(4-methylpyrrolidin-3-yl)methyl]-3-azabicyclo[4.1.0]heptane
PubChem CID164650694
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name3-[(4-methylpyrrolidin-3-yl)methyl]-3-azabicyclo[4.1.0]heptane
SMILESCC1CNCC1CN1CCC2CC2C1
InChIInChI=1S/C12H22N2/c1-9-5-13-6-12(9)8-14-3-2-10-4-11(10)7-14/h9-13H,2-8H2,1H3
InChIKeyVMUKYCQKHWXRFB-UHFFFAOYSA-N
XLogP1.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-1-[[(3S,4S)-4-methylpyrrolidin-3-yl]methyl]pyrrolidine
CID 164657937
1-methyl-6-[(4-methylpyrrolidin-3-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 81199895
3-methoxy-4-methyl-1-[(4-methylpyrrolidin-3-yl)methyl]piperidine
CID 102963551
1-[(4-methylpyrrolidin-3-yl)methyl]azepane
CID 63715689
1-[(4-methylpyrrolidin-3-yl)methyl]-4-propan-2-ylpiperazine
CID 63714372
1-[(4-methylpyrrolidin-3-yl)methyl]-4-(2,2,2-trifluoroethyl)piperazine
CID 63714384
(3aS,7aS)-5-(cyclopropylmethyl)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine
CID 124910290
4-ethyl-4-methyl-1-[(4-methylpyrrolidin-3-yl)methyl]piperidine
CID 63715030
3,3-difluoro-1-[(4-methylpyrrolidin-3-yl)methyl]pyrrolidine
CID 130646465
6-[(2-methylcyclopropyl)methyl]-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine
CID 131182942
1-[1-[(2-methylcyclopropyl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride
CID 120967543
1-[(4-methylpyrrolidin-3-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 65319770

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylpyrrolidin-3-yl)methyl]-3-azabicyclo[4.1.0]heptane?
The IUPAC name of 3-[(4-methylpyrrolidin-3-yl)methyl]-3-azabicyclo[4.1.0]heptane (CID 164650694) is 3-[(4-methylpyrrolidin-3-yl)methyl]-3-azabicyclo[4.1.0]heptane.
What is the SMILES notation for 3-[(4-methylpyrrolidin-3-yl)methyl]-3-azabicyclo[4.1.0]heptane?
The canonical SMILES for 3-[(4-methylpyrrolidin-3-yl)methyl]-3-azabicyclo[4.1.0]heptane is CC1CNCC1CN1CCC2CC2C1.
What is the InChIKey of 3-[(4-methylpyrrolidin-3-yl)methyl]-3-azabicyclo[4.1.0]heptane?
The InChIKey is VMUKYCQKHWXRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-9-5-13-6-12(9)8-14-3-2-10-4-11(10)7-14/h9-13H,2-8H2,1H3.
What are the key properties of 3-[(4-methylpyrrolidin-3-yl)methyl]-3-azabicyclo[4.1.0]heptane?
3-[(4-methylpyrrolidin-3-yl)methyl]-3-azabicyclo[4.1.0]heptane has a molecular weight of 194.32 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylpyrrolidin-3-yl)methyl]-3-azabicyclo[4.1.0]heptane is sourced from PubChem (CID 164650694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).