7-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-ethyl-1,4-dioxaspiro[4.5]decan-8-amine

C17H30N2O2 — CID 115559480

IUPAC7-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-ethyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCCNC1CCC2(CC1N1CC3CCCC3C1)OCCO2
InChIInChI=1S/C17H30N2O2/c1-2-18-15-6-7-17(20-8-9-21-17)10-16(15)19-11-13-4-3-5-14(13)12-19/h13-16,18H,2-12H2,1H3
InChIKeyHNPZPXSSOMRBKS-UHFFFAOYSA-N
MW294.44 g/mol
LogP1.99
Rot. Bonds3

About 7-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-ethyl-1,4-dioxaspiro[4.5]decan-8-amine

7-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-ethyl-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 115559480) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 7-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-ethyl-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound Name7-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-ethyl-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID115559480
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name7-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-ethyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCCNC1CCC2(CC1N1CC3CCCC3C1)OCCO2
InChIInChI=1S/C17H30N2O2/c1-2-18-15-6-7-17(20-8-9-21-17)10-16(15)19-11-13-4-3-5-14(13)12-19/h13-16,18H,2-12H2,1H3
InChIKeyHNPZPXSSOMRBKS-UHFFFAOYSA-N
XLogP1.99
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-ethyl-1,4-dioxaspiro[4.5]decan-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-7-(2-ethyl-5-methylpyrrolidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 83219193
5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-ethyl-2,2-dimethylcyclopentan-1-amine
CID 113335655
7-(2,2-difluoroethoxy)-N-ethyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 82004248
N-ethyl-7-(2-methoxyethylsulfanyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 64612372
N-ethyl-7-(oxan-4-ylsulfinyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 64656262
3-[[8-(ethylamino)-1,4-dioxaspiro[4.5]decan-7-yl]sulfanyl]butan-2-ol
CID 107772699
N-ethyl-7-(oxolan-2-ylmethylsulfinyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 106496216
2-(4,4-dimethylazepan-1-yl)-N-ethyl-4,4-dimethylcyclohexan-1-amine
CID 65281267
N-ethyl-7-(5-methylpyrimidin-2-yl)sulfanyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 64628559
7-(3,4-dimethylpyrrolidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-ol
CID 79183815
N-ethyl-2-(3-methoxypiperidin-1-yl)-4,4-dimethylcyclohexan-1-amine
CID 102965548
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-ethylcyclopentan-1-amine
CID 65319332

Frequently Asked Questions

What is the IUPAC name of 7-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-ethyl-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of 7-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-ethyl-1,4-dioxaspiro[4.5]decan-8-amine (CID 115559480) is 7-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-ethyl-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for 7-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-ethyl-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for 7-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-ethyl-1,4-dioxaspiro[4.5]decan-8-amine is CCNC1CCC2(CC1N1CC3CCCC3C1)OCCO2.
What is the InChIKey of 7-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-ethyl-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is HNPZPXSSOMRBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-2-18-15-6-7-17(20-8-9-21-17)10-16(15)19-11-13-4-3-5-14(13)12-19/h13-16,18H,2-12H2,1H3.
What are the key properties of 7-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-ethyl-1,4-dioxaspiro[4.5]decan-8-amine?
7-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-ethyl-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 294.44 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-ethyl-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 115559480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).