N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylpyridin-3-amine

C14H20N2O2 — CID 79042500

IUPACN-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylpyridin-3-amine
SMILESCc1ncccc1NC1CCC2(CC1)OCCO2
InChIInChI=1S/C14H20N2O2/c1-11-13(3-2-8-15-11)16-12-4-6-14(7-5-12)17-9-10-18-14/h2-3,8,12,16H,4-7,9-10H2,1H3
InChIKeyDXDFWFMIVFNWRM-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.49
Rot. Bonds2

About N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylpyridin-3-amine

N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylpyridin-3-amine (PubChem CID 79042500) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylpyridin-3-amine.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylpyridin-3-amine
PubChem CID79042500
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylpyridin-3-amine
SMILESCc1ncccc1NC1CCC2(CC1)OCCO2
InChIInChI=1S/C14H20N2O2/c1-11-13(3-2-8-15-11)16-12-4-6-14(7-5-12)17-9-10-18-14/h2-3,8,12,16H,4-7,9-10H2,1H3
InChIKeyDXDFWFMIVFNWRM-UHFFFAOYSA-N
XLogP2.49
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylpyridin-3-amine?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylpyridin-3-amine (CID 79042500) is N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylpyridin-3-amine.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylpyridin-3-amine?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylpyridin-3-amine is Cc1ncccc1NC1CCC2(CC1)OCCO2.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylpyridin-3-amine?
The InChIKey is DXDFWFMIVFNWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11-13(3-2-8-15-11)16-12-4-6-14(7-5-12)17-9-10-18-14/h2-3,8,12,16H,4-7,9-10H2,1H3.
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylpyridin-3-amine?
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylpyridin-3-amine has a molecular weight of 248.33 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylpyridin-3-amine is sourced from PubChem (CID 79042500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).