2-(aminomethyl)-5,5-dimethyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopentan-1-ol

C17H31NO2 — CID 102901878

IUPAC2-(aminomethyl)-5,5-dimethyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopentan-1-ol
SMILESCC1(C)CCC(CN)(CC2CCC3(CCCC3)O2)C1O
InChIInChI=1S/C17H31NO2/c1-15(2)9-10-16(12-18,14(15)19)11-13-5-8-17(20-13)6-3-4-7-17/h13-14,19H,3-12,18H2,1-2H3
InChIKeyCGELCBNWWZLNHW-UHFFFAOYSA-N
MW281.44 g/mol
LogP2.99
Rot. Bonds3

About 2-(aminomethyl)-5,5-dimethyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopentan-1-ol

2-(aminomethyl)-5,5-dimethyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopentan-1-ol (PubChem CID 102901878) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-(aminomethyl)-5,5-dimethyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopentan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-5,5-dimethyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopentan-1-ol
PubChem CID102901878
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name2-(aminomethyl)-5,5-dimethyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopentan-1-ol
SMILESCC1(C)CCC(CN)(CC2CCC3(CCCC3)O2)C1O
InChIInChI=1S/C17H31NO2/c1-15(2)9-10-16(12-18,14(15)19)11-13-5-8-17(20-13)6-3-4-7-17/h13-14,19H,3-12,18H2,1-2H3
InChIKeyCGELCBNWWZLNHW-UHFFFAOYSA-N
XLogP2.99
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(aminomethyl)-5,5-dimethyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopentan-1-ol with MolForge

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Related Compounds

2-(aminomethyl)-2-[(5,5-dimethyloxolan-2-yl)methyl]-6,6-dimethylcyclohexan-1-ol
CID 116525014
[4,4-dimethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexyl]methanamine
CID 102901865
[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-cyclopropyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)oxolan-3-yl]methanamine
CID 102900544
4,4-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclohexan-1-amine
CID 102901930
[3-ethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopentyl]methanamine
CID 102901874
1-oxaspiro[4.7]dodecan-2-ylmethanamine
CID 130583709
2-(aminomethyl)-2-(methoxymethyl)-5,5-dimethylcyclopentan-1-ol
CID 130515088
[3-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexyl]methanamine
CID 102901857
2-[[1-(bromomethyl)cyclohexyl]methyl]-1-oxaspiro[4.5]decane
CID 102902155
2-[[1-(bromomethyl)cyclopentyl]methyl]-1-oxaspiro[4.5]decane
CID 102902158

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5,5-dimethyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopentan-1-ol?
The IUPAC name of 2-(aminomethyl)-5,5-dimethyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopentan-1-ol (CID 102901878) is 2-(aminomethyl)-5,5-dimethyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopentan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-5,5-dimethyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopentan-1-ol?
The canonical SMILES for 2-(aminomethyl)-5,5-dimethyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopentan-1-ol is CC1(C)CCC(CN)(CC2CCC3(CCCC3)O2)C1O.
What is the InChIKey of 2-(aminomethyl)-5,5-dimethyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopentan-1-ol?
The InChIKey is CGELCBNWWZLNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c1-15(2)9-10-16(12-18,14(15)19)11-13-5-8-17(20-13)6-3-4-7-17/h13-14,19H,3-12,18H2,1-2H3.
What are the key properties of 2-(aminomethyl)-5,5-dimethyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopentan-1-ol?
2-(aminomethyl)-5,5-dimethyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopentan-1-ol has a molecular weight of 281.44 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5,5-dimethyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopentan-1-ol is sourced from PubChem (CID 102901878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).