N-(1-ethoxypropan-2-yl)-2,6-dioxaspiro[4.5]decan-9-amine

C13H25NO3 — CID 79895528

IUPACN-(1-ethoxypropan-2-yl)-2,6-dioxaspiro[4.5]decan-9-amine
SMILESCCOCC(C)NC1CCOC2(CCOC2)C1
InChIInChI=1S/C13H25NO3/c1-3-15-9-11(2)14-12-4-6-17-13(8-12)5-7-16-10-13/h11-12,14H,3-10H2,1-2H3
InChIKeyWAKXYCHSRQSEKW-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.34
Rot. Bonds5

About N-(1-ethoxypropan-2-yl)-2,6-dioxaspiro[4.5]decan-9-amine

N-(1-ethoxypropan-2-yl)-2,6-dioxaspiro[4.5]decan-9-amine (PubChem CID 79895528) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-(1-ethoxypropan-2-yl)-2,6-dioxaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-(1-ethoxypropan-2-yl)-2,6-dioxaspiro[4.5]decan-9-amine
PubChem CID79895528
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC NameN-(1-ethoxypropan-2-yl)-2,6-dioxaspiro[4.5]decan-9-amine
SMILESCCOCC(C)NC1CCOC2(CCOC2)C1
InChIInChI=1S/C13H25NO3/c1-3-15-9-11(2)14-12-4-6-17-13(8-12)5-7-16-10-13/h11-12,14H,3-10H2,1-2H3
InChIKeyWAKXYCHSRQSEKW-UHFFFAOYSA-N
XLogP1.34
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898146
N-(1-ethoxypropan-2-yl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79895529
N-heptan-2-yl-2,6-dioxaspiro[4.5]decan-9-amine
CID 79895576
N-(2-methylpropyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898440
N-(1-methylsulfanylpropan-2-yl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 113472784
N-[(1S)-1-cyclohexylethyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 81384866
N-(2-methylbutyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79903955
N-(dicyclopropylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79895513
N-(2,3-dimethylbutyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79903290
2-(2,6-dioxaspiro[4.5]decan-9-ylamino)-4-methylpentanoic acid
CID 79894126
N-[2-(3-methylbutoxy)ethyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 79895677
2-(2,6-dioxaspiro[4.5]decan-9-ylamino)-N-(2-methylpropyl)propanamide
CID 115885270

Frequently Asked Questions

What is the IUPAC name of N-(1-ethoxypropan-2-yl)-2,6-dioxaspiro[4.5]decan-9-amine?
The IUPAC name of N-(1-ethoxypropan-2-yl)-2,6-dioxaspiro[4.5]decan-9-amine (CID 79895528) is N-(1-ethoxypropan-2-yl)-2,6-dioxaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-(1-ethoxypropan-2-yl)-2,6-dioxaspiro[4.5]decan-9-amine?
The canonical SMILES for N-(1-ethoxypropan-2-yl)-2,6-dioxaspiro[4.5]decan-9-amine is CCOCC(C)NC1CCOC2(CCOC2)C1.
What is the InChIKey of N-(1-ethoxypropan-2-yl)-2,6-dioxaspiro[4.5]decan-9-amine?
The InChIKey is WAKXYCHSRQSEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-3-15-9-11(2)14-12-4-6-17-13(8-12)5-7-16-10-13/h11-12,14H,3-10H2,1-2H3.
What are the key properties of N-(1-ethoxypropan-2-yl)-2,6-dioxaspiro[4.5]decan-9-amine?
N-(1-ethoxypropan-2-yl)-2,6-dioxaspiro[4.5]decan-9-amine has a molecular weight of 243.35 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethoxypropan-2-yl)-2,6-dioxaspiro[4.5]decan-9-amine is sourced from PubChem (CID 79895528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).