N-(cyclopentylmethyl)-1,4-dioxaspiro[4.4]nonan-8-amine

C13H23NO2 — CID 130709610

IUPACN-(cyclopentylmethyl)-1,4-dioxaspiro[4.4]nonan-8-amine
SMILESC1CCC(CNC2CCC3(C2)OCCO3)C1
InChIInChI=1S/C13H23NO2/c1-2-4-11(3-1)10-14-12-5-6-13(9-12)15-7-8-16-13/h11-12,14H,1-10H2
InChIKeyORGUXGIUKKQMFK-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.06
Rot. Bonds3

About N-(cyclopentylmethyl)-1,4-dioxaspiro[4.4]nonan-8-amine

N-(cyclopentylmethyl)-1,4-dioxaspiro[4.4]nonan-8-amine (PubChem CID 130709610) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-1,4-dioxaspiro[4.4]nonan-8-amine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-1,4-dioxaspiro[4.4]nonan-8-amine
PubChem CID130709610
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC NameN-(cyclopentylmethyl)-1,4-dioxaspiro[4.4]nonan-8-amine
SMILESC1CCC(CNC2CCC3(C2)OCCO3)C1
InChIInChI=1S/C13H23NO2/c1-2-4-11(3-1)10-14-12-5-6-13(9-12)15-7-8-16-13/h11-12,14H,1-10H2
InChIKeyORGUXGIUKKQMFK-UHFFFAOYSA-N
XLogP2.06
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopentylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 43370815
N-(oxan-4-ylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 63727494
N-(cyclohexylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898486
trans-(1R,2R)-2-(1,4-dioxaspiro[4.5]decan-8-ylmethylamino)cyclohexan-1-ol
CID 154755007
N-(oxetan-3-yl)-1,4-dioxaspiro[4.4]nonan-8-amine
CID 130609525
(7R)-N-benzyl-1,4-dioxaspiro[4.5]decan-7-amine
CID 70952466
N-(oxan-4-ylmethyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79903433
N-(cyclopentylmethyl)-4,4-dimethylcycloheptan-1-amine
CID 65084515
3,3-dimethyl-N-(oxan-3-ylmethyl)cyclopentan-1-amine
CID 80705483
(8R)-1,4-dioxaspiro[4.4]nonan-8-amine
CID 95431886
N-(cyclobutylmethyl)cycloheptanamine
CID 43298514
N-[(4-methylcyclohexyl)methyl]-6-oxaspiro[4.5]decan-9-amine
CID 79903426

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-1,4-dioxaspiro[4.4]nonan-8-amine?
The IUPAC name of N-(cyclopentylmethyl)-1,4-dioxaspiro[4.4]nonan-8-amine (CID 130709610) is N-(cyclopentylmethyl)-1,4-dioxaspiro[4.4]nonan-8-amine.
What is the SMILES notation for N-(cyclopentylmethyl)-1,4-dioxaspiro[4.4]nonan-8-amine?
The canonical SMILES for N-(cyclopentylmethyl)-1,4-dioxaspiro[4.4]nonan-8-amine is C1CCC(CNC2CCC3(C2)OCCO3)C1.
What is the InChIKey of N-(cyclopentylmethyl)-1,4-dioxaspiro[4.4]nonan-8-amine?
The InChIKey is ORGUXGIUKKQMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-2-4-11(3-1)10-14-12-5-6-13(9-12)15-7-8-16-13/h11-12,14H,1-10H2.
What are the key properties of N-(cyclopentylmethyl)-1,4-dioxaspiro[4.4]nonan-8-amine?
N-(cyclopentylmethyl)-1,4-dioxaspiro[4.4]nonan-8-amine has a molecular weight of 225.33 g/mol, XLogP of 2.06, 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[4.4]nonan-8-amine is sourced from PubChem (CID 130709610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).