N-[2-(1,4-dioxaspiro[4.5]decan-6-yl)ethyl]propan-2-amine

C13H25NO2 — CID 86002444

IUPACN-[2-(1,4-dioxaspiro[4.5]decan-6-yl)ethyl]propan-2-amine
SMILESCC(C)NCCC1CCCCC12OCCO2
InChIInChI=1S/C13H25NO2/c1-11(2)14-8-6-12-5-3-4-7-13(12)15-9-10-16-13/h11-12,14H,3-10H2,1-2H3
InChIKeyLCNFEHBKUHLEAA-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.31
Rot. Bonds4

About N-[2-(1,4-dioxaspiro[4.5]decan-6-yl)ethyl]propan-2-amine

N-[2-(1,4-dioxaspiro[4.5]decan-6-yl)ethyl]propan-2-amine (PubChem CID 86002444) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-[2-(1,4-dioxaspiro[4.5]decan-6-yl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(1,4-dioxaspiro[4.5]decan-6-yl)ethyl]propan-2-amine
PubChem CID86002444
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC NameN-[2-(1,4-dioxaspiro[4.5]decan-6-yl)ethyl]propan-2-amine
SMILESCC(C)NCCC1CCCCC12OCCO2
InChIInChI=1S/C13H25NO2/c1-11(2)14-8-6-12-5-3-4-7-13(12)15-9-10-16-13/h11-12,14H,3-10H2,1-2H3
InChIKeyLCNFEHBKUHLEAA-UHFFFAOYSA-N
XLogP2.31
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-Dioxaspiro(4.5)decane, 6-ethyl-2-(2-piperidyl)-, hydrochloride, beta-
CID 24167
[2-(1,4-Dioxaspiro[4.5]dec-6-yl)ethyl]methylamine
CID 86002438
2-(1,4-Dioxaspiro[4.5]decan-6-YL)ethan-1-amine
CID 86140181
2-(6-Ethyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidine
CID 24168
2-(6-Methyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidine
CID 24170
N-(cycloheptylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 72107406
N-(2-methylpropyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 28428561
N-(4-methylcyclohexyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 28453773
(2S)-1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-methylbutan-2-amine
CID 57797561
3-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylpropan-1-amine
CID 57904278
1,4-Dioxa-9-azadispiro[4.2.4^{8}.2^{5}]tetradecane
CID 59731842
2-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylethanamine
CID 59746511

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,4-dioxaspiro[4.5]decan-6-yl)ethyl]propan-2-amine?
The IUPAC name of N-[2-(1,4-dioxaspiro[4.5]decan-6-yl)ethyl]propan-2-amine (CID 86002444) is N-[2-(1,4-dioxaspiro[4.5]decan-6-yl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(1,4-dioxaspiro[4.5]decan-6-yl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(1,4-dioxaspiro[4.5]decan-6-yl)ethyl]propan-2-amine is CC(C)NCCC1CCCCC12OCCO2.
What is the InChIKey of N-[2-(1,4-dioxaspiro[4.5]decan-6-yl)ethyl]propan-2-amine?
The InChIKey is LCNFEHBKUHLEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-11(2)14-8-6-12-5-3-4-7-13(12)15-9-10-16-13/h11-12,14H,3-10H2,1-2H3.
What are the key properties of N-[2-(1,4-dioxaspiro[4.5]decan-6-yl)ethyl]propan-2-amine?
N-[2-(1,4-dioxaspiro[4.5]decan-6-yl)ethyl]propan-2-amine has a molecular weight of 227.35 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,4-dioxaspiro[4.5]decan-6-yl)ethyl]propan-2-amine is sourced from PubChem (CID 86002444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).