1-(1,4-dioxan-2-yl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylmethanamine

C14H25NO4 — CID 115824800

IUPAC1-(1,4-dioxan-2-yl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylmethanamine
SMILESCNC(C1CCOC2(CCOC2)C1)C1COCCO1
InChIInChI=1S/C14H25NO4/c1-15-13(12-9-16-6-7-18-12)11-2-4-19-14(8-11)3-5-17-10-14/h11-13,15H,2-10H2,1H3
InChIKeyHQFBAEWZMMWSIO-UHFFFAOYSA-N
MW271.36 g/mol
LogP0.58
Rot. Bonds3

About 1-(1,4-dioxan-2-yl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylmethanamine

1-(1,4-dioxan-2-yl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylmethanamine (PubChem CID 115824800) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-(1,4-dioxan-2-yl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1,4-dioxan-2-yl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylmethanamine
PubChem CID115824800
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name1-(1,4-dioxan-2-yl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylmethanamine
SMILESCNC(C1CCOC2(CCOC2)C1)C1COCCO1
InChIInChI=1S/C14H25NO4/c1-15-13(12-9-16-6-7-18-12)11-2-4-19-14(8-11)3-5-17-10-14/h11-13,15H,2-10H2,1H3
InChIKeyHQFBAEWZMMWSIO-UHFFFAOYSA-N
XLogP0.58
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1,4-dioxan-2-yl(2,6-dioxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 115824814
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methyl-1-(oxolan-2-yl)methanamine
CID 79911771
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-1-(2-methylcyclopropyl)methanamine
CID 79911605
N-[1,4-dioxan-2-yl(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 115824809
N-[1,4-dioxan-2-yl(5-oxaspiro[3.5]nonan-8-yl)methyl]propan-1-amine
CID 115824817
1-(2,2-dimethylcyclohexyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylmethanamine
CID 107190198
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N,2,2-trimethylpropan-1-amine
CID 79914724
1-(2,6-dioxaspiro[4.5]decan-9-yl)-1-(1,1-dioxothian-2-yl)-N-methylmethanamine
CID 105017135
[2,6-dioxaspiro[4.5]decan-9-yl(oxan-4-yl)methyl]hydrazine
CID 105229794
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methyl-1-(thian-2-yl)methanamine
CID 80627564
1-cyclohexyl-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 79914062
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine
CID 105012176

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxan-2-yl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylmethanamine?
The IUPAC name of 1-(1,4-dioxan-2-yl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylmethanamine (CID 115824800) is 1-(1,4-dioxan-2-yl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(1,4-dioxan-2-yl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylmethanamine?
The canonical SMILES for 1-(1,4-dioxan-2-yl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylmethanamine is CNC(C1CCOC2(CCOC2)C1)C1COCCO1.
What is the InChIKey of 1-(1,4-dioxan-2-yl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylmethanamine?
The InChIKey is HQFBAEWZMMWSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-15-13(12-9-16-6-7-18-12)11-2-4-19-14(8-11)3-5-17-10-14/h11-13,15H,2-10H2,1H3.
What are the key properties of 1-(1,4-dioxan-2-yl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylmethanamine?
1-(1,4-dioxan-2-yl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylmethanamine has a molecular weight of 271.36 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxan-2-yl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylmethanamine is sourced from PubChem (CID 115824800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).