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

C16H24N2O2 — CID 107503040

IUPAC(2,6-dimethyl-4-pyridinyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanamine
SMILESCc1cc(C(N)C2CCOC3(CCOC3)C2)cc(C)n1
InChIInChI=1S/C16H24N2O2/c1-11-7-14(8-12(2)18-11)15(17)13-3-5-20-16(9-13)4-6-19-10-16/h7-8,13,15H,3-6,9-10,17H2,1-2H3
InChIKeyDARJQDBOCVEJMN-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.28
Rot. Bonds2

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

(2,6-dimethyl-4-pyridinyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanamine (PubChem CID 107503040) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (2,6-dimethyl-4-pyridinyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanamine.

Molecular Properties

Compound Name(2,6-dimethyl-4-pyridinyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanamine
PubChem CID107503040
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(2,6-dimethyl-4-pyridinyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanamine
SMILESCc1cc(C(N)C2CCOC3(CCOC3)C2)cc(C)n1
InChIInChI=1S/C16H24N2O2/c1-11-7-14(8-12(2)18-11)15(17)13-3-5-20-16(9-13)4-6-19-10-16/h7-8,13,15H,3-6,9-10,17H2,1-2H3
InChIKeyDARJQDBOCVEJMN-UHFFFAOYSA-N
XLogP2.28
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1,3-dimethylpyrazol-4-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanamine
CID 102804203
2,6-dioxaspiro[4.5]decan-9-yl-(4-fluoro-3-methoxyphenyl)methanamine
CID 105017002
2,6-dioxaspiro[4.5]decan-9-yl-(2,4,6-trifluorophenyl)methanamine
CID 105017180
(2,6-dimethyl-3-pyridinyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanamine
CID 105167540
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-1-(2-methyl-4-pyridinyl)methanamine
CID 106755659
cyclopropyl(2,6-dioxaspiro[4.5]decan-9-yl)methanamine
CID 79914987
(2-methyl-4-pyridinyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 106755669
1,9-dioxaspiro[5.5]undecan-4-yl-(4-methylsulfanylphenyl)methanamine
CID 105012149
(3-chloro-5-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 115823308
2,6-dioxaspiro[4.5]decan-9-yl-(4-methylcyclohexyl)methanamine
CID 79914092
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-1-(6-methyl-2-pyridinyl)methanamine
CID 79914297
[(2,6-dimethyl-4-pyridinyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 107504849

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethyl-4-pyridinyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanamine?
The IUPAC name of (2,6-dimethyl-4-pyridinyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanamine (CID 107503040) is (2,6-dimethyl-4-pyridinyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanamine.
What is the SMILES notation for (2,6-dimethyl-4-pyridinyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanamine?
The canonical SMILES for (2,6-dimethyl-4-pyridinyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanamine is Cc1cc(C(N)C2CCOC3(CCOC3)C2)cc(C)n1.
What is the InChIKey of (2,6-dimethyl-4-pyridinyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanamine?
The InChIKey is DARJQDBOCVEJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11-7-14(8-12(2)18-11)15(17)13-3-5-20-16(9-13)4-6-19-10-16/h7-8,13,15H,3-6,9-10,17H2,1-2H3.
What are the key properties of (2,6-dimethyl-4-pyridinyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanamine?
(2,6-dimethyl-4-pyridinyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanamine has a molecular weight of 276.38 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethyl-4-pyridinyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanamine is sourced from PubChem (CID 107503040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).