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

C11H22N2 — CID 102894266

IUPACN-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-methylethanamine
SMILESCCN(C)CC1NCC2CCCC21
InChIInChI=1S/C11H22N2/c1-3-13(2)8-11-10-6-4-5-9(10)7-12-11/h9-12H,3-8H2,1-2H3
InChIKeyGRAPTHGRKQADOZ-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.33
Rot. Bonds3

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

N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-methylethanamine (PubChem CID 102894266) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-methylethanamine.

Molecular Properties

Compound NameN-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-methylethanamine
PubChem CID102894266
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC NameN-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-methylethanamine
SMILESCCN(C)CC1NCC2CCCC21
InChIInChI=1S/C11H22N2/c1-3-13(2)8-11-10-6-4-5-9(10)7-12-11/h9-12H,3-8H2,1-2H3
InChIKeyGRAPTHGRKQADOZ-UHFFFAOYSA-N
XLogP1.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 102894568
N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-methyl-2-methylsulfonylethanamine
CID 102894643
1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-N-[(4-fluorophenyl)methyl]-N-methylmethanamine
CID 102894333
N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-ethylprop-2-yn-1-amine
CID 102894689
1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-N-methyl-N-(pyridin-3-ylmethyl)methanamine
CID 102894289
N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N,4,4-trimethylcyclohexan-1-amine
CID 102894656
N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-butylcyclopropanamine
CID 102894360
N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N,4-dimethylaniline
CID 102894459
[(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
N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-prop-2-enylpropan-2-amine
CID 102894696
1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N,N-dimethylpyrrolidin-3-amine
CID 102894533

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-methylethanamine?
The IUPAC name of N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-methylethanamine (CID 102894266) is N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-methylethanamine.
What is the SMILES notation for N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-methylethanamine?
The canonical SMILES for N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-methylethanamine is CCN(C)CC1NCC2CCCC21.
What is the InChIKey of N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-methylethanamine?
The InChIKey is GRAPTHGRKQADOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-3-13(2)8-11-10-6-4-5-9(10)7-12-11/h9-12H,3-8H2,1-2H3.
What are the key properties of N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-methylethanamine?
N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-methylethanamine has a molecular weight of 182.31 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N-methylethanamine is sourced from PubChem (CID 102894266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).