1,9-dioxaspiro[5.5]undecan-4-yl-(4-methoxyoxan-4-yl)methanamine

C16H29NO4 — CID 116764435

IUPAC1,9-dioxaspiro[5.5]undecan-4-yl-(4-methoxyoxan-4-yl)methanamine
SMILESCOC1(C(N)C2CCOC3(CCOCC3)C2)CCOCC1
InChIInChI=1S/C16H29NO4/c1-18-16(5-10-20-11-6-16)14(17)13-2-7-21-15(12-13)3-8-19-9-4-15/h13-14H,2-12,17H2,1H3
InChIKeyOTJHJJKLICCNOH-UHFFFAOYSA-N
MW299.41 g/mol
LogP1.49
Rot. Bonds3

About 1,9-dioxaspiro[5.5]undecan-4-yl-(4-methoxyoxan-4-yl)methanamine

1,9-dioxaspiro[5.5]undecan-4-yl-(4-methoxyoxan-4-yl)methanamine (PubChem CID 116764435) has the molecular formula C16H29NO4 and a molecular weight of 299.41 g/mol. Its IUPAC name is 1,9-dioxaspiro[5.5]undecan-4-yl-(4-methoxyoxan-4-yl)methanamine.

Molecular Properties

Compound Name1,9-dioxaspiro[5.5]undecan-4-yl-(4-methoxyoxan-4-yl)methanamine
PubChem CID116764435
Molecular FormulaC16H29NO4
Molecular Weight299.41 g/mol
Exact Mass299.21
IUPAC Name1,9-dioxaspiro[5.5]undecan-4-yl-(4-methoxyoxan-4-yl)methanamine
SMILESCOC1(C(N)C2CCOC3(CCOCC3)C2)CCOCC1
InChIInChI=1S/C16H29NO4/c1-18-16(5-10-20-11-6-16)14(17)13-2-7-21-15(12-13)3-8-19-9-4-15/h13-14H,2-12,17H2,1H3
InChIKeyOTJHJJKLICCNOH-UHFFFAOYSA-N
XLogP1.49
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-dioxaspiro[4.5]decan-9-yl-(4-methoxyoxan-4-yl)methanamine
CID 116764369
(4-methoxyoxan-4-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 116764461
(1-methoxycyclopentyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 104610599
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2,2-dimethoxyethanamine
CID 79911630
cyclopentyl-(4-methoxyoxan-4-yl)methanamine
CID 116764544
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-methoxy-2-methylpropan-1-amine
CID 79911538
1,9-dioxaspiro[5.5]undecan-4-yl-(4-methylcyclohexyl)methanamine
CID 79914564
dimethyl 2-(1,9-dioxaspiro[5.5]undecan-4-yl)propanedioate
CID 103972495
(1-ethoxycyclohexyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 116763566
1,9-dioxaspiro[5.5]undecan-4-yl-(3-methylcyclohexyl)methanamine
CID 79914941
(1-ethoxy-4-methylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 116766870
cyclohexyl(1,9-dioxaspiro[5.5]undecan-4-yl)methanamine
CID 79914524

Frequently Asked Questions

What is the IUPAC name of 1,9-dioxaspiro[5.5]undecan-4-yl-(4-methoxyoxan-4-yl)methanamine?
The IUPAC name of 1,9-dioxaspiro[5.5]undecan-4-yl-(4-methoxyoxan-4-yl)methanamine (CID 116764435) is 1,9-dioxaspiro[5.5]undecan-4-yl-(4-methoxyoxan-4-yl)methanamine.
What is the SMILES notation for 1,9-dioxaspiro[5.5]undecan-4-yl-(4-methoxyoxan-4-yl)methanamine?
The canonical SMILES for 1,9-dioxaspiro[5.5]undecan-4-yl-(4-methoxyoxan-4-yl)methanamine is COC1(C(N)C2CCOC3(CCOCC3)C2)CCOCC1.
What is the InChIKey of 1,9-dioxaspiro[5.5]undecan-4-yl-(4-methoxyoxan-4-yl)methanamine?
The InChIKey is OTJHJJKLICCNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO4/c1-18-16(5-10-20-11-6-16)14(17)13-2-7-21-15(12-13)3-8-19-9-4-15/h13-14H,2-12,17H2,1H3.
What are the key properties of 1,9-dioxaspiro[5.5]undecan-4-yl-(4-methoxyoxan-4-yl)methanamine?
1,9-dioxaspiro[5.5]undecan-4-yl-(4-methoxyoxan-4-yl)methanamine has a molecular weight of 299.41 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-dioxaspiro[5.5]undecan-4-yl-(4-methoxyoxan-4-yl)methanamine is sourced from PubChem (CID 116764435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).