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

C14H28N2O2 — CID 102894343

IUPACN-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-2-methoxy-N-(2-methoxyethyl)ethanamine
SMILESCOCCN(CCOC)CC1NCC2CCCC21
InChIInChI=1S/C14H28N2O2/c1-17-8-6-16(7-9-18-2)11-14-13-5-3-4-12(13)10-15-14/h12-15H,3-11H2,1-2H3
InChIKeyHKOLDRNVWHNFCW-UHFFFAOYSA-N
MW256.39 g/mol
LogP0.97
Rot. Bonds8

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

N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-2-methoxy-N-(2-methoxyethyl)ethanamine (PubChem CID 102894343) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-2-methoxy-N-(2-methoxyethyl)ethanamine.

Molecular Properties

Compound NameN-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-2-methoxy-N-(2-methoxyethyl)ethanamine
PubChem CID102894343
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC NameN-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-2-methoxy-N-(2-methoxyethyl)ethanamine
SMILESCOCCN(CCOC)CC1NCC2CCCC21
InChIInChI=1S/C14H28N2O2/c1-17-8-6-16(7-9-18-2)11-14-13-5-3-4-12(13)10-15-14/h12-15H,3-11H2,1-2H3
InChIKeyHKOLDRNVWHNFCW-UHFFFAOYSA-N
XLogP0.97
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-2-methoxy-N-(2-methoxyethyl)ethanamine with MolForge

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Related Compounds

(3aR)-3-(methoxymethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
CID 163632436
2-methyl-N-(oxetan-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
CID 166944690
2-(2-cyclopentylpyrrolidin-1-yl)-N-(2-ethoxyethyl)ethanamine
CID 62553906
N-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-1-methoxypropan-2-amine
CID 62555551
3-(2-cyclopentylpyrrolidin-1-yl)-N-(2-methoxyethyl)propan-1-amine
CID 62562918
2-(2-cyclopentylpyrrolidin-1-yl)-N-(2-methoxyethyl)propan-1-amine
CID 62568156
2-(2-cyclopentylpyrrolidin-1-yl)-N-(2-methoxyethyl)ethanamine
CID 62573671
N-[[1-(cyclopentylmethyl)pyrrolidin-2-yl]methyl]-2-methoxyethanamine
CID 62580928
N'-(2-methoxyethyl)-N'-methyl-N-(2-pyrrolidin-2-ylcyclopentyl)ethane-1,2-diamine
CID 79544219
1-(2-Cyclopentylpyrrolidin-1-yl)-3-methoxypropan-2-amine
CID 81101158
4-(1,2,3,3a,4,5,6,6a-Octahydrocyclopenta[c]pyrrol-3-ylmethyl)morpholine
CID 102894227
4-(1,2,3,3a,4,5,6,6a-Octahydrocyclopenta[c]pyrrol-3-ylmethyl)-2,6-dimethylmorpholine
CID 102894231

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-2-methoxy-N-(2-methoxyethyl)ethanamine?
The IUPAC name of N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-2-methoxy-N-(2-methoxyethyl)ethanamine (CID 102894343) is N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-2-methoxy-N-(2-methoxyethyl)ethanamine.
What is the SMILES notation for N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-2-methoxy-N-(2-methoxyethyl)ethanamine?
The canonical SMILES for N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-2-methoxy-N-(2-methoxyethyl)ethanamine is COCCN(CCOC)CC1NCC2CCCC21.
What is the InChIKey of N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-2-methoxy-N-(2-methoxyethyl)ethanamine?
The InChIKey is HKOLDRNVWHNFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-17-8-6-16(7-9-18-2)11-14-13-5-3-4-12(13)10-15-14/h12-15H,3-11H2,1-2H3.
What are the key properties of N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-2-methoxy-N-(2-methoxyethyl)ethanamine?
N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-2-methoxy-N-(2-methoxyethyl)ethanamine has a molecular weight of 256.39 g/mol, XLogP of 0.97, 8 rotatable bonds, 1 hydrogen bond donors, and 4 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)-2-methoxy-N-(2-methoxyethyl)ethanamine is sourced from PubChem (CID 102894343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).