2,6-dioxaspiro[4.5]decan-9-yl-(4-methylcyclohexyl)methanamine

C16H29NO2 — CID 79914092

IUPAC2,6-dioxaspiro[4.5]decan-9-yl-(4-methylcyclohexyl)methanamine
SMILESCC1CCC(C(N)C2CCOC3(CCOC3)C2)CC1
InChIInChI=1S/C16H29NO2/c1-12-2-4-13(5-3-12)15(17)14-6-8-19-16(10-14)7-9-18-11-16/h12-15H,2-11,17H2,1H3
InChIKeyKCHWNHSUPAWKRP-UHFFFAOYSA-N
MW267.41 g/mol
LogP2.73
Rot. Bonds2

About 2,6-dioxaspiro[4.5]decan-9-yl-(4-methylcyclohexyl)methanamine

2,6-dioxaspiro[4.5]decan-9-yl-(4-methylcyclohexyl)methanamine (PubChem CID 79914092) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 2,6-dioxaspiro[4.5]decan-9-yl-(4-methylcyclohexyl)methanamine.

Molecular Properties

Compound Name2,6-dioxaspiro[4.5]decan-9-yl-(4-methylcyclohexyl)methanamine
PubChem CID79914092
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name2,6-dioxaspiro[4.5]decan-9-yl-(4-methylcyclohexyl)methanamine
SMILESCC1CCC(C(N)C2CCOC3(CCOC3)C2)CC1
InChIInChI=1S/C16H29NO2/c1-12-2-4-13(5-3-12)15(17)14-6-8-19-16(10-14)7-9-18-11-16/h12-15H,2-11,17H2,1H3
InChIKeyKCHWNHSUPAWKRP-UHFFFAOYSA-N
XLogP2.73
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropyl(2,6-dioxaspiro[4.5]decan-9-yl)methanamine
CID 79914987
1,9-dioxaspiro[5.5]undecan-4-yl-(4-methylcyclohexyl)methanamine
CID 79914564
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-propylpentan-1-amine
CID 105017171
2,6-dioxaspiro[4.5]decan-9-yl(oxolan-2-yl)methanamine
CID 79910992
cyclohexyl(1,9-dioxaspiro[5.5]undecan-4-yl)methanamine
CID 79914524
9-methyl-2,6-dioxaspiro[4.5]decane
CID 177019737
cyclopropyl(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 79913944
1,9-dioxaspiro[5.5]undecan-4-yl-(3-methylcyclohexyl)methanamine
CID 79914941
1-(2,6-dioxaspiro[4.5]decan-9-yl)octan-1-amine
CID 105017103
(1,4-dimethylpiperazin-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanamine
CID 79911030
methyl 2-amino-2-(2,6-dioxaspiro[4.5]decan-9-yl)acetate
CID 79905755
2,6-dioxaspiro[4.5]decan-9-yl-(4-methoxyoxan-4-yl)methanamine
CID 116764369

Frequently Asked Questions

What is the IUPAC name of 2,6-dioxaspiro[4.5]decan-9-yl-(4-methylcyclohexyl)methanamine?
The IUPAC name of 2,6-dioxaspiro[4.5]decan-9-yl-(4-methylcyclohexyl)methanamine (CID 79914092) is 2,6-dioxaspiro[4.5]decan-9-yl-(4-methylcyclohexyl)methanamine.
What is the SMILES notation for 2,6-dioxaspiro[4.5]decan-9-yl-(4-methylcyclohexyl)methanamine?
The canonical SMILES for 2,6-dioxaspiro[4.5]decan-9-yl-(4-methylcyclohexyl)methanamine is CC1CCC(C(N)C2CCOC3(CCOC3)C2)CC1.
What is the InChIKey of 2,6-dioxaspiro[4.5]decan-9-yl-(4-methylcyclohexyl)methanamine?
The InChIKey is KCHWNHSUPAWKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-12-2-4-13(5-3-12)15(17)14-6-8-19-16(10-14)7-9-18-11-16/h12-15H,2-11,17H2,1H3.
What are the key properties of 2,6-dioxaspiro[4.5]decan-9-yl-(4-methylcyclohexyl)methanamine?
2,6-dioxaspiro[4.5]decan-9-yl-(4-methylcyclohexyl)methanamine has a molecular weight of 267.41 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dioxaspiro[4.5]decan-9-yl-(4-methylcyclohexyl)methanamine is sourced from PubChem (CID 79914092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).