N-(2,2-dimethyloxan-4-yl)-1,4-dioxaspiro[4.5]decan-8-amine

C15H27NO3 — CID 83033541

IUPACN-(2,2-dimethyloxan-4-yl)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCC1(C)CC(NC2CCC3(CC2)OCCO3)CCO1
InChIInChI=1S/C15H27NO3/c1-14(2)11-13(5-8-17-14)16-12-3-6-15(7-4-12)18-9-10-19-15/h12-13,16H,3-11H2,1-2H3
InChIKeyCYCVYNGXCYUUKM-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.22
Rot. Bonds2

About N-(2,2-dimethyloxan-4-yl)-1,4-dioxaspiro[4.5]decan-8-amine

N-(2,2-dimethyloxan-4-yl)-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 83033541) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is N-(2,2-dimethyloxan-4-yl)-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-(2,2-dimethyloxan-4-yl)-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID83033541
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC NameN-(2,2-dimethyloxan-4-yl)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCC1(C)CC(NC2CCC3(CC2)OCCO3)CCO1
InChIInChI=1S/C15H27NO3/c1-14(2)11-13(5-8-17-14)16-12-3-6-15(7-4-12)18-9-10-19-15/h12-13,16H,3-11H2,1-2H3
InChIKeyCYCVYNGXCYUUKM-UHFFFAOYSA-N
XLogP2.22
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dimethyloxan-4-yl)-2,2-dimethyloxan-4-amine
CID 83033712
N-(oxetan-3-yl)-1,4-dioxaspiro[4.4]nonan-8-amine
CID 130609525
N-(4-methylcycloheptyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 102795154
N-(2,2-dimethyloxan-4-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 83033630
N-(4-methylthiolan-3-yl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 130847982
N-(3-methylcyclohexyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 43317686
N-(2,2-dimethyloxan-4-yl)-1-phenylpiperidin-4-amine
CID 103904738
2,2-dimethyl-N-(2-propyloxan-4-yl)oxan-4-amine
CID 83032687
N-(2-methylcyclohexyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 43194980
N-(2,2-dimethyloxan-4-yl)-1,2,5-trimethylpiperidin-4-amine
CID 83032693
2,2-dimethyl-N-(2-methylthian-3-yl)oxan-4-amine
CID 83033114
[2-[(2,2-dimethyloxan-4-yl)amino]cyclohexyl]methanol
CID 106359775

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyloxan-4-yl)-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N-(2,2-dimethyloxan-4-yl)-1,4-dioxaspiro[4.5]decan-8-amine (CID 83033541) is N-(2,2-dimethyloxan-4-yl)-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N-(2,2-dimethyloxan-4-yl)-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N-(2,2-dimethyloxan-4-yl)-1,4-dioxaspiro[4.5]decan-8-amine is CC1(C)CC(NC2CCC3(CC2)OCCO3)CCO1.
What is the InChIKey of N-(2,2-dimethyloxan-4-yl)-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is CYCVYNGXCYUUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-14(2)11-13(5-8-17-14)16-12-3-6-15(7-4-12)18-9-10-19-15/h12-13,16H,3-11H2,1-2H3.
What are the key properties of N-(2,2-dimethyloxan-4-yl)-1,4-dioxaspiro[4.5]decan-8-amine?
N-(2,2-dimethyloxan-4-yl)-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 269.38 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyloxan-4-yl)-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 83033541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).