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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Related Compounds

N-(cyclopentylmethyl)-1,4-dioxaspiro[4.4]nonan-8-amine
CID 130709610
N-(oxan-4-ylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 63727494
trans-(1R,2R)-2-(1,4-dioxaspiro[4.5]decan-8-ylmethylamino)cyclohexan-1-ol
CID 154755007
N-(cyclopentylmethyl)-4,4-dimethylcycloheptan-1-amine
CID 65084515
N-(cyclobutylmethyl)cycloheptanamine
CID 43298514
N-(2,2-dimethylbutyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 103460691
1-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]cycloheptan-1-ol
CID 60970973
N-(cyclobutylmethyl)cyclobutanamine
CID 57306046
N-(cyclohexylmethyl)cyclohexanamine;ethene
CID 143308482
N-(oxan-4-ylmethyl)cyclohexanamine
CID 61269562
N-(oxan-4-ylmethyl)cycloheptanamine
CID 61269563
1-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2-methylpropan-2-ol
CID 63239594

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).