1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N,N-dimethylpyrrolidin-3-amine

C14H27N3 — CID 102894533

IUPAC1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(CC2NCC3CCCC32)C1
InChIInChI=1S/C14H27N3/c1-16(2)12-6-7-17(9-12)10-14-13-5-3-4-11(13)8-15-14/h11-15H,3-10H2,1-2H3
InChIKeyLKNDMEHERASICM-UHFFFAOYSA-N
MW237.39 g/mol
LogP1.01
Rot. Bonds3

About 1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N,N-dimethylpyrrolidin-3-amine

1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N,N-dimethylpyrrolidin-3-amine (PubChem CID 102894533) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N,N-dimethylpyrrolidin-3-amine
PubChem CID102894533
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(CC2NCC3CCCC32)C1
InChIInChI=1S/C14H27N3/c1-16(2)12-6-7-17(9-12)10-14-13-5-3-4-11(13)8-15-14/h11-15H,3-10H2,1-2H3
InChIKeyLKNDMEHERASICM-UHFFFAOYSA-N
XLogP1.01
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 102894300
3-[(3-propan-2-ylpyrrolidin-1-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
CID 102894714
3-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
CID 102894537
3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
CID 103534890
3-[(4-ethoxypiperidin-1-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
CID 102894327
3-[(3,3-diethylpyrrolidin-1-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
CID 102894651
N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-methylethanamine
CID 102894266
2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 102894647
3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
CID 102894376
N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N,4,4-trimethylcyclohexan-1-amine
CID 102894656
[(3S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methanamine
CID 66703870
3-(fluoromethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;hydrochloride
CID 84718322

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N,N-dimethylpyrrolidin-3-amine (CID 102894533) is 1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N,N-dimethylpyrrolidin-3-amine is CN(C)C1CCN(CC2NCC3CCCC32)C1.
What is the InChIKey of 1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is LKNDMEHERASICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-16(2)12-6-7-17(9-12)10-14-13-5-3-4-11(13)8-15-14/h11-15H,3-10H2,1-2H3.
What are the key properties of 1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N,N-dimethylpyrrolidin-3-amine?
1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 237.39 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 102894533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).