N-(oxan-4-ylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine

C14H25NO3 — CID 63727494

IUPACN-(oxan-4-ylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESC1CC(CNC2CCC3(CC2)OCCO3)CCO1
InChIInChI=1S/C14H25NO3/c1-5-14(17-9-10-18-14)6-2-13(1)15-11-12-3-7-16-8-4-12/h12-13,15H,1-11H2
InChIKeySPJYCQPOOFMJDX-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.69
Rot. Bonds3

About N-(oxan-4-ylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine

N-(oxan-4-ylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 63727494) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-(oxan-4-ylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-(oxan-4-ylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID63727494
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC NameN-(oxan-4-ylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESC1CC(CNC2CCC3(CC2)OCCO3)CCO1
InChIInChI=1S/C14H25NO3/c1-5-14(17-9-10-18-14)6-2-13(1)15-11-12-3-7-16-8-4-12/h12-13,15H,1-11H2
InChIKeySPJYCQPOOFMJDX-UHFFFAOYSA-N
XLogP1.69
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-ylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N-(oxan-4-ylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine (CID 63727494) is N-(oxan-4-ylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N-(oxan-4-ylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N-(oxan-4-ylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine is C1CC(CNC2CCC3(CC2)OCCO3)CCO1.
What is the InChIKey of N-(oxan-4-ylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is SPJYCQPOOFMJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-5-14(17-9-10-18-14)6-2-13(1)15-11-12-3-7-16-8-4-12/h12-13,15H,1-11H2.
What are the key properties of N-(oxan-4-ylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine?
N-(oxan-4-ylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 255.36 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-ylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 63727494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).