N-[1,4-dioxan-2-yl(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine

C16H29NO3 — CID 115824809

IUPACN-[1,4-dioxan-2-yl(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine
SMILESCCNC(C1CCOC2(CCCC2)C1)C1COCCO1
InChIInChI=1S/C16H29NO3/c1-2-17-15(14-12-18-9-10-19-14)13-5-8-20-16(11-13)6-3-4-7-16/h13-15,17H,2-12H2,1H3
InChIKeyFZTAPHUICRCPFB-UHFFFAOYSA-N
MW283.41 g/mol
LogP2.12
Rot. Bonds4

About N-[1,4-dioxan-2-yl(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine

N-[1,4-dioxan-2-yl(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine (PubChem CID 115824809) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is N-[1,4-dioxan-2-yl(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[1,4-dioxan-2-yl(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine
PubChem CID115824809
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC NameN-[1,4-dioxan-2-yl(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine
SMILESCCNC(C1CCOC2(CCCC2)C1)C1COCCO1
InChIInChI=1S/C16H29NO3/c1-2-17-15(14-12-18-9-10-19-14)13-5-8-20-16(11-13)6-3-4-7-16/h13-15,17H,2-12H2,1H3
InChIKeyFZTAPHUICRCPFB-UHFFFAOYSA-N
XLogP2.12
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1,4-dioxan-2-yl(5-oxaspiro[3.5]nonan-8-yl)methyl]propan-1-amine
CID 115824817
N-[1,4-dioxan-2-yl(2,6-dioxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 115824814
N-[(5-methyloxolan-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methyl]ethanamine
CID 105016221
N-[7-bicyclo[4.1.0]heptanyl(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 105016661
1-(1,4-dioxan-2-yl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylmethanamine
CID 115824800
N-[1,9-dioxaspiro[5.5]undecan-4-yl(oxan-3-yl)methyl]ethanamine
CID 79910522
N-[6-oxaspiro[4.5]decan-9-yl(thiolan-2-yl)methyl]ethanamine
CID 80627742
N-[(3-methyl-1,4-dithian-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 115387067
N-[6-oxaspiro[4.5]decan-9-yl(thian-2-yl)methyl]ethanamine
CID 80626187
N-[(3,4-dimethylcyclohexyl)-(1,4-dioxan-2-yl)methyl]ethanamine
CID 65352331
N-ethyl-2,2,2-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 105016756
N-[1,4-dioxan-2-yl-(4-ethylcyclohexyl)methyl]ethanamine
CID 65352228

Frequently Asked Questions

What is the IUPAC name of N-[1,4-dioxan-2-yl(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine?
The IUPAC name of N-[1,4-dioxan-2-yl(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine (CID 115824809) is N-[1,4-dioxan-2-yl(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine.
What is the SMILES notation for N-[1,4-dioxan-2-yl(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine?
The canonical SMILES for N-[1,4-dioxan-2-yl(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine is CCNC(C1CCOC2(CCCC2)C1)C1COCCO1.
What is the InChIKey of N-[1,4-dioxan-2-yl(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine?
The InChIKey is FZTAPHUICRCPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-2-17-15(14-12-18-9-10-19-14)13-5-8-20-16(11-13)6-3-4-7-16/h13-15,17H,2-12H2,1H3.
What are the key properties of N-[1,4-dioxan-2-yl(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine?
N-[1,4-dioxan-2-yl(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine has a molecular weight of 283.41 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,4-dioxan-2-yl(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine is sourced from PubChem (CID 115824809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).