3-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole

C14H24N2 — CID 102894759

IUPAC3-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
SMILESCC1=CCN(CC2NCC3CCCC32)CC1
InChIInChI=1S/C14H24N2/c1-11-5-7-16(8-6-11)10-14-13-4-2-3-12(13)9-15-14/h5,12-15H,2-4,6-10H2,1H3
InChIKeyDIWWAEFEGCPRBQ-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.03
Rot. Bonds2

About 3-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole

3-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole (PubChem CID 102894759) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 3-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole.

Molecular Properties

Compound Name3-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
PubChem CID102894759
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name3-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
SMILESCC1=CCN(CC2NCC3CCCC32)CC1
InChIInChI=1S/C14H24N2/c1-11-5-7-16(8-6-11)10-14-13-4-2-3-12(13)9-15-14/h5,12-15H,2-4,6-10H2,1H3
InChIKeyDIWWAEFEGCPRBQ-UHFFFAOYSA-N
XLogP2.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole?
The IUPAC name of 3-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole (CID 102894759) is 3-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole.
What is the SMILES notation for 3-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole?
The canonical SMILES for 3-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole is CC1=CCN(CC2NCC3CCCC32)CC1.
What is the InChIKey of 3-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole?
The InChIKey is DIWWAEFEGCPRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-11-5-7-16(8-6-11)10-14-13-4-2-3-12(13)9-15-14/h5,12-15H,2-4,6-10H2,1H3.
What are the key properties of 3-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole?
3-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole has a molecular weight of 220.36 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole is sourced from PubChem (CID 102894759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).