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

C14H25NO2 — CID 43370815

IUPACN-(cyclopentylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESC1CCC(CNC2CCC3(CC2)OCCO3)C1
InChIInChI=1S/C14H25NO2/c1-2-4-12(3-1)11-15-13-5-7-14(8-6-13)16-9-10-17-14/h12-13,15H,1-11H2
InChIKeyOVRVZABJCLVBTH-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.45
Rot. Bonds3

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

N-(cyclopentylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 43370815) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID43370815
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC NameN-(cyclopentylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESC1CCC(CNC2CCC3(CC2)OCCO3)C1
InChIInChI=1S/C14H25NO2/c1-2-4-12(3-1)11-15-13-5-7-14(8-6-13)16-9-10-17-14/h12-13,15H,1-11H2
InChIKeyOVRVZABJCLVBTH-UHFFFAOYSA-N
XLogP2.45
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N-(cyclopentylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine (CID 43370815) is N-(cyclopentylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N-(cyclopentylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N-(cyclopentylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine is C1CCC(CNC2CCC3(CC2)OCCO3)C1.
What is the InChIKey of N-(cyclopentylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is OVRVZABJCLVBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-2-4-12(3-1)11-15-13-5-7-14(8-6-13)16-9-10-17-14/h12-13,15H,1-11H2.
What are the key properties of N-(cyclopentylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine?
N-(cyclopentylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 239.36 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 43370815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).