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

C17H31NO2 — CID 79914564

IUPAC1,9-dioxaspiro[5.5]undecan-4-yl-(4-methylcyclohexyl)methanamine
SMILESCC1CCC(C(N)C2CCOC3(CCOCC3)C2)CC1
InChIInChI=1S/C17H31NO2/c1-13-2-4-14(5-3-13)16(18)15-6-9-20-17(12-15)7-10-19-11-8-17/h13-16H,2-12,18H2,1H3
InChIKeyMNLCZADJALXHMV-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.12
Rot. Bonds2

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

1,9-dioxaspiro[5.5]undecan-4-yl-(4-methylcyclohexyl)methanamine (PubChem CID 79914564) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is 1,9-dioxaspiro[5.5]undecan-4-yl-(4-methylcyclohexyl)methanamine.

Molecular Properties

Compound Name1,9-dioxaspiro[5.5]undecan-4-yl-(4-methylcyclohexyl)methanamine
PubChem CID79914564
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name1,9-dioxaspiro[5.5]undecan-4-yl-(4-methylcyclohexyl)methanamine
SMILESCC1CCC(C(N)C2CCOC3(CCOCC3)C2)CC1
InChIInChI=1S/C17H31NO2/c1-13-2-4-14(5-3-13)16(18)15-6-9-20-17(12-15)7-10-19-11-8-17/h13-16H,2-12,18H2,1H3
InChIKeyMNLCZADJALXHMV-UHFFFAOYSA-N
XLogP3.12
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dioxaspiro[4.5]decan-9-yl-(4-methylcyclohexyl)methanamine
CID 79914092
cyclohexyl(1,9-dioxaspiro[5.5]undecan-4-yl)methanamine
CID 79914524
cyclopropyl(2,6-dioxaspiro[4.5]decan-9-yl)methanamine
CID 79914987
1,9-dioxaspiro[5.5]undecan-4-yl-(3-methylcyclohexyl)methanamine
CID 79914941
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2,2-dimethoxyethanamine
CID 79911630
cyclopentyl(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 79914728
1-(1,9-dioxaspiro[5.5]undecan-4-yl)pentan-1-amine
CID 79911282
4-methyl-1,9-dioxaspiro[5.5]undecane
CID 131067264
5-oxaspiro[3.5]nonan-8-yl-(4-propylcyclohexyl)methanamine
CID 79912209
(4,4-dimethylcyclohexyl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 79910537
1,9-dioxaspiro[5.5]undecan-4-yl-(4-methoxyoxan-4-yl)methanamine
CID 116764435
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylpentan-1-amine
CID 79915399

Frequently Asked Questions

What is the IUPAC name of 1,9-dioxaspiro[5.5]undecan-4-yl-(4-methylcyclohexyl)methanamine?
The IUPAC name of 1,9-dioxaspiro[5.5]undecan-4-yl-(4-methylcyclohexyl)methanamine (CID 79914564) is 1,9-dioxaspiro[5.5]undecan-4-yl-(4-methylcyclohexyl)methanamine.
What is the SMILES notation for 1,9-dioxaspiro[5.5]undecan-4-yl-(4-methylcyclohexyl)methanamine?
The canonical SMILES for 1,9-dioxaspiro[5.5]undecan-4-yl-(4-methylcyclohexyl)methanamine is CC1CCC(C(N)C2CCOC3(CCOCC3)C2)CC1.
What is the InChIKey of 1,9-dioxaspiro[5.5]undecan-4-yl-(4-methylcyclohexyl)methanamine?
The InChIKey is MNLCZADJALXHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c1-13-2-4-14(5-3-13)16(18)15-6-9-20-17(12-15)7-10-19-11-8-17/h13-16H,2-12,18H2,1H3.
What are the key properties of 1,9-dioxaspiro[5.5]undecan-4-yl-(4-methylcyclohexyl)methanamine?
1,9-dioxaspiro[5.5]undecan-4-yl-(4-methylcyclohexyl)methanamine has a molecular weight of 281.44 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-dioxaspiro[5.5]undecan-4-yl-(4-methylcyclohexyl)methanamine is sourced from PubChem (CID 79914564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).