(2,6-dimethyl-3-pyridinyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanamine

C17H26N2O2 — CID 105167540

IUPAC(2,6-dimethyl-3-pyridinyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanamine
SMILESCc1ccc(C(N)C2CCOC3(CCOCC3)C2)c(C)n1
InChIInChI=1S/C17H26N2O2/c1-12-3-4-15(13(2)19-12)16(18)14-5-8-21-17(11-14)6-9-20-10-7-17/h3-4,14,16H,5-11,18H2,1-2H3
InChIKeyWVGIUDHPGNYWOZ-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.67
Rot. Bonds2

About (2,6-dimethyl-3-pyridinyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanamine

(2,6-dimethyl-3-pyridinyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanamine (PubChem CID 105167540) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (2,6-dimethyl-3-pyridinyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanamine.

Molecular Properties

Compound Name(2,6-dimethyl-3-pyridinyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanamine
PubChem CID105167540
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name(2,6-dimethyl-3-pyridinyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanamine
SMILESCc1ccc(C(N)C2CCOC3(CCOCC3)C2)c(C)n1
InChIInChI=1S/C17H26N2O2/c1-12-3-4-15(13(2)19-12)16(18)14-5-8-21-17(11-14)6-9-20-10-7-17/h3-4,14,16H,5-11,18H2,1-2H3
InChIKeyWVGIUDHPGNYWOZ-UHFFFAOYSA-N
XLogP2.67
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-dimethyl-3-pyridinyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylmethanamine
CID 105170298
(6-methyl-2-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 79915425
(R)-cyclopropyl-(2,6-dimethyl-3-pyridinyl)methanamine
CID 55262974
1,9-dioxaspiro[5.5]undecan-4-yl-(4-methylsulfanylphenyl)methanamine
CID 105012149
(2,6-dimethyl-4-pyridinyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanamine
CID 107503040
(4-bromo-2-chlorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanamine
CID 105012080
(1,3-dimethylpyrazol-4-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanamine
CID 102804203
(2-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79915466
(2-methylfuran-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 104789677
(2-fluoro-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105010181
(2,5-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 105016729
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-(4-methylphenyl)ethanamine
CID 79908712

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethyl-3-pyridinyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanamine?
The IUPAC name of (2,6-dimethyl-3-pyridinyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanamine (CID 105167540) is (2,6-dimethyl-3-pyridinyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanamine.
What is the SMILES notation for (2,6-dimethyl-3-pyridinyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanamine?
The canonical SMILES for (2,6-dimethyl-3-pyridinyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanamine is Cc1ccc(C(N)C2CCOC3(CCOCC3)C2)c(C)n1.
What is the InChIKey of (2,6-dimethyl-3-pyridinyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanamine?
The InChIKey is WVGIUDHPGNYWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12-3-4-15(13(2)19-12)16(18)14-5-8-21-17(11-14)6-9-20-10-7-17/h3-4,14,16H,5-11,18H2,1-2H3.
What are the key properties of (2,6-dimethyl-3-pyridinyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanamine?
(2,6-dimethyl-3-pyridinyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanamine has a molecular weight of 290.41 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethyl-3-pyridinyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanamine is sourced from PubChem (CID 105167540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).