[2-(1-oxaspiro[4.4]nonan-2-ylmethoxymethyl)cyclopentyl]methanamine

C16H29NO2 — CID 102898886

IUPAC[2-(1-oxaspiro[4.4]nonan-2-ylmethoxymethyl)cyclopentyl]methanamine
SMILESNCC1CCCC1COCC1CCC2(CCCC2)O1
InChIInChI=1S/C16H29NO2/c17-10-13-4-3-5-14(13)11-18-12-15-6-9-16(19-15)7-1-2-8-16/h13-15H,1-12,17H2
InChIKeyKLXLFHJVHQOBPL-UHFFFAOYSA-N
MW267.41 g/mol
LogP2.87
Rot. Bonds5

About [2-(1-oxaspiro[4.4]nonan-2-ylmethoxymethyl)cyclopentyl]methanamine

[2-(1-oxaspiro[4.4]nonan-2-ylmethoxymethyl)cyclopentyl]methanamine (PubChem CID 102898886) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is [2-(1-oxaspiro[4.4]nonan-2-ylmethoxymethyl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[2-(1-oxaspiro[4.4]nonan-2-ylmethoxymethyl)cyclopentyl]methanamine
PubChem CID102898886
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name[2-(1-oxaspiro[4.4]nonan-2-ylmethoxymethyl)cyclopentyl]methanamine
SMILESNCC1CCCC1COCC1CCC2(CCCC2)O1
InChIInChI=1S/C16H29NO2/c17-10-13-4-3-5-14(13)11-18-12-15-6-9-16(19-15)7-1-2-8-16/h13-15H,1-12,17H2
InChIKeyKLXLFHJVHQOBPL-UHFFFAOYSA-N
XLogP2.87
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-oxaspiro[4.5]decan-2-ylmethoxy)propan-1-amine
CID 102898863
1-oxaspiro[4.7]dodecan-2-ylmethanamine
CID 130583709
2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)cyclopentan-1-amine
CID 102898902
4-(1-oxaspiro[4.4]nonan-2-ylmethoxymethyl)piperidine
CID 102898844
2-(1-oxaspiro[4.5]decan-2-ylmethoxy)acetic acid
CID 102896245
2-ethyl-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)butan-1-amine
CID 102896081
[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclooctyl]methanamine
CID 102901881
[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclohexyl]methanamine
CID 102900287
2-[2-(1-oxaspiro[4.5]decan-2-ylmethoxy)ethyl]piperidine
CID 102898856
N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethane-1,2-diamine
CID 102897171
[2-[(4-methylmorpholin-2-yl)methoxymethyl]cyclohexyl]methanamine
CID 79182689
2-(1-oxaspiro[4.5]decan-2-ylmethylamino)oxyacetamide
CID 102897726

Frequently Asked Questions

What is the IUPAC name of [2-(1-oxaspiro[4.4]nonan-2-ylmethoxymethyl)cyclopentyl]methanamine?
The IUPAC name of [2-(1-oxaspiro[4.4]nonan-2-ylmethoxymethyl)cyclopentyl]methanamine (CID 102898886) is [2-(1-oxaspiro[4.4]nonan-2-ylmethoxymethyl)cyclopentyl]methanamine.
What is the SMILES notation for [2-(1-oxaspiro[4.4]nonan-2-ylmethoxymethyl)cyclopentyl]methanamine?
The canonical SMILES for [2-(1-oxaspiro[4.4]nonan-2-ylmethoxymethyl)cyclopentyl]methanamine is NCC1CCCC1COCC1CCC2(CCCC2)O1.
What is the InChIKey of [2-(1-oxaspiro[4.4]nonan-2-ylmethoxymethyl)cyclopentyl]methanamine?
The InChIKey is KLXLFHJVHQOBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c17-10-13-4-3-5-14(13)11-18-12-15-6-9-16(19-15)7-1-2-8-16/h13-15H,1-12,17H2.
What are the key properties of [2-(1-oxaspiro[4.4]nonan-2-ylmethoxymethyl)cyclopentyl]methanamine?
[2-(1-oxaspiro[4.4]nonan-2-ylmethoxymethyl)cyclopentyl]methanamine has a molecular weight of 267.41 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-oxaspiro[4.4]nonan-2-ylmethoxymethyl)cyclopentyl]methanamine is sourced from PubChem (CID 102898886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).