1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-3-yl)-N,N-dimethylmethanamine

C10H20N2 — CID 56987953

IUPAC1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-3-yl)-N,N-dimethylmethanamine
SMILESCN(C)CC1CNC2CCCC12
InChIInChI=1S/C10H20N2/c1-12(2)7-8-6-11-10-5-3-4-9(8)10/h8-11H,3-7H2,1-2H3
InChIKeyCQKNCLWYCWIGBS-UHFFFAOYSA-N
MW168.28 g/mol
LogP0.94
Rot. Bonds2

About 1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-3-yl)-N,N-dimethylmethanamine

1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-3-yl)-N,N-dimethylmethanamine (PubChem CID 56987953) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-3-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-3-yl)-N,N-dimethylmethanamine
PubChem CID56987953
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-3-yl)-N,N-dimethylmethanamine
SMILESCN(C)CC1CNC2CCCC12
InChIInChI=1S/C10H20N2/c1-12(2)7-8-6-11-10-5-3-4-9(8)10/h8-11H,3-7H2,1-2H3
InChIKeyCQKNCLWYCWIGBS-UHFFFAOYSA-N
XLogP0.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-3-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-3-yl)-N,N-dimethylmethanamine (CID 56987953) is 1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-3-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-3-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-3-yl)-N,N-dimethylmethanamine is CN(C)CC1CNC2CCCC12.
What is the InChIKey of 1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-3-yl)-N,N-dimethylmethanamine?
The InChIKey is CQKNCLWYCWIGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-12(2)7-8-6-11-10-5-3-4-9(8)10/h8-11H,3-7H2,1-2H3.
What are the key properties of 1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-3-yl)-N,N-dimethylmethanamine?
1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-3-yl)-N,N-dimethylmethanamine has a molecular weight of 168.28 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-3-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 56987953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).