[3-ethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopentyl]methanamine

C17H31NO — CID 102901874

IUPAC[3-ethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopentyl]methanamine
SMILESCCC1CCC(CN)(CC2CCC3(CCCC3)O2)C1
InChIInChI=1S/C17H31NO/c1-2-14-5-9-16(11-14,13-18)12-15-6-10-17(19-15)7-3-4-8-17/h14-15H,2-13,18H2,1H3
InChIKeyPWYBPPFJXIJIBA-UHFFFAOYSA-N
MW265.44 g/mol
LogP4.02
Rot. Bonds4

About [3-ethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopentyl]methanamine

[3-ethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopentyl]methanamine (PubChem CID 102901874) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is [3-ethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[3-ethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopentyl]methanamine
PubChem CID102901874
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name[3-ethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopentyl]methanamine
SMILESCCC1CCC(CN)(CC2CCC3(CCCC3)O2)C1
InChIInChI=1S/C17H31NO/c1-2-14-5-9-16(11-14,13-18)12-15-6-10-17(19-15)7-3-4-8-17/h14-15H,2-13,18H2,1H3
InChIKeyPWYBPPFJXIJIBA-UHFFFAOYSA-N
XLogP4.02
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [3-ethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopentyl]methanamine 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

[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclooctyl]methanamine
CID 102901881
[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclohexyl]methanamine
CID 102900287
[4,4-dimethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexyl]methanamine
CID 102901865
[3-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexyl]methanamine
CID 102901857
1-[1-(aminomethyl)-3-ethylcyclopentyl]-2,2-dimethylcyclohexan-1-ol
CID 79852268
2-(aminomethyl)-5,5-dimethyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopentan-1-ol
CID 102901878
2-[[1-(bromomethyl)cyclohexyl]methyl]-1-oxaspiro[4.5]decane
CID 102902155
2-[[1-(bromomethyl)cyclopentyl]methyl]-1-oxaspiro[4.5]decane
CID 102902158
1-oxaspiro[4.7]dodecan-2-ylmethanamine
CID 130583709
1-[1-(aminomethyl)-3-ethylcyclopentyl]-3-ethylcyclohexan-1-ol
CID 79124179
4,4-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclohexan-1-amine
CID 102901930
N-[[1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclopentyl]methyl]propan-2-amine
CID 102900330

Frequently Asked Questions

What is the IUPAC name of [3-ethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopentyl]methanamine?
The IUPAC name of [3-ethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopentyl]methanamine (CID 102901874) is [3-ethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopentyl]methanamine.
What is the SMILES notation for [3-ethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopentyl]methanamine?
The canonical SMILES for [3-ethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopentyl]methanamine is CCC1CCC(CN)(CC2CCC3(CCCC3)O2)C1.
What is the InChIKey of [3-ethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopentyl]methanamine?
The InChIKey is PWYBPPFJXIJIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-2-14-5-9-16(11-14,13-18)12-15-6-10-17(19-15)7-3-4-8-17/h14-15H,2-13,18H2,1H3.
What are the key properties of [3-ethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopentyl]methanamine?
[3-ethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopentyl]methanamine has a molecular weight of 265.44 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopentyl]methanamine is sourced from PubChem (CID 102901874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).