2,2-dimethyl-3-(5-oxaspiro[3.5]nonan-8-ylamino)cyclobutan-1-ol

C14H25NO2 — CID 115977837

IUPAC2,2-dimethyl-3-(5-oxaspiro[3.5]nonan-8-ylamino)cyclobutan-1-ol
SMILESCC1(C)C(O)CC1NC1CCOC2(CCC2)C1
InChIInChI=1S/C14H25NO2/c1-13(2)11(8-12(13)16)15-10-4-7-17-14(9-10)5-3-6-14/h10-12,15-16H,3-9H2,1-2H3
InChIKeyKBYZHUYMHGCBNR-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.84
Rot. Bonds2

About 2,2-dimethyl-3-(5-oxaspiro[3.5]nonan-8-ylamino)cyclobutan-1-ol

2,2-dimethyl-3-(5-oxaspiro[3.5]nonan-8-ylamino)cyclobutan-1-ol (PubChem CID 115977837) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 2,2-dimethyl-3-(5-oxaspiro[3.5]nonan-8-ylamino)cyclobutan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-(5-oxaspiro[3.5]nonan-8-ylamino)cyclobutan-1-ol
PubChem CID115977837
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name2,2-dimethyl-3-(5-oxaspiro[3.5]nonan-8-ylamino)cyclobutan-1-ol
SMILESCC1(C)C(O)CC1NC1CCOC2(CCC2)C1
InChIInChI=1S/C14H25NO2/c1-13(2)11(8-12(13)16)15-10-4-7-17-14(9-10)5-3-6-14/h10-12,15-16H,3-9H2,1-2H3
InChIKeyKBYZHUYMHGCBNR-UHFFFAOYSA-N
XLogP1.84
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-ethoxy-2,2-dimethylcyclobutyl)-5-oxaspiro[3.5]nonan-8-amine
CID 103921996
N-(2,2-dimethylcyclohexyl)-6-oxaspiro[4.5]decan-9-amine
CID 79903322
2,2-dimethyl-3-[(2-methyloxan-4-yl)amino]cyclobutan-1-ol
CID 115977876
3-(cyclopropylamino)-2,2-dimethylcyclobutan-1-ol
CID 112633086
N-(1-methylcyclopentyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79895072
N-cyclohexyl-1-oxaspiro[5.5]undecan-4-amine
CID 79898516
N-cyclobutyl-1-oxaspiro[5.5]undecan-4-amine
CID 79895616
N-(oxan-3-yl)-5-oxaspiro[3.5]nonan-8-amine
CID 79903513
N-[(1-methylcyclopropyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 107166629
N-(1-methylcyclopentyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79895290
N-(2-phenylcyclopropyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79895170
2,2-dimethyl-3-[(3-methylsulfanylcyclohexyl)amino]cyclobutan-1-ol
CID 103952052

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(5-oxaspiro[3.5]nonan-8-ylamino)cyclobutan-1-ol?
The IUPAC name of 2,2-dimethyl-3-(5-oxaspiro[3.5]nonan-8-ylamino)cyclobutan-1-ol (CID 115977837) is 2,2-dimethyl-3-(5-oxaspiro[3.5]nonan-8-ylamino)cyclobutan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-(5-oxaspiro[3.5]nonan-8-ylamino)cyclobutan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-(5-oxaspiro[3.5]nonan-8-ylamino)cyclobutan-1-ol is CC1(C)C(O)CC1NC1CCOC2(CCC2)C1.
What is the InChIKey of 2,2-dimethyl-3-(5-oxaspiro[3.5]nonan-8-ylamino)cyclobutan-1-ol?
The InChIKey is KBYZHUYMHGCBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-13(2)11(8-12(13)16)15-10-4-7-17-14(9-10)5-3-6-14/h10-12,15-16H,3-9H2,1-2H3.
What are the key properties of 2,2-dimethyl-3-(5-oxaspiro[3.5]nonan-8-ylamino)cyclobutan-1-ol?
2,2-dimethyl-3-(5-oxaspiro[3.5]nonan-8-ylamino)cyclobutan-1-ol has a molecular weight of 239.36 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(5-oxaspiro[3.5]nonan-8-ylamino)cyclobutan-1-ol is sourced from PubChem (CID 115977837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).