1-(1,4-dioxaspiro[4.5]decan-3-yl)-N-[(2-methyl-3-pyridinyl)methyl]methanamine

C16H24N2O2 — CID 84596741

IUPAC1-(1,4-dioxaspiro[4.5]decan-3-yl)-N-[(2-methyl-3-pyridinyl)methyl]methanamine
SMILESCc1ncccc1CNCC1COC2(CCCCC2)O1
InChIInChI=1S/C16H24N2O2/c1-13-14(6-5-9-18-13)10-17-11-15-12-19-16(20-15)7-3-2-4-8-16/h5-6,9,15,17H,2-4,7-8,10-12H2,1H3
InChIKeySSQAWBSXAJRFDP-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.56
Rot. Bonds4

About 1-(1,4-dioxaspiro[4.5]decan-3-yl)-N-[(2-methyl-3-pyridinyl)methyl]methanamine

1-(1,4-dioxaspiro[4.5]decan-3-yl)-N-[(2-methyl-3-pyridinyl)methyl]methanamine (PubChem CID 84596741) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(1,4-dioxaspiro[4.5]decan-3-yl)-N-[(2-methyl-3-pyridinyl)methyl]methanamine.

Molecular Properties

Compound Name1-(1,4-dioxaspiro[4.5]decan-3-yl)-N-[(2-methyl-3-pyridinyl)methyl]methanamine
PubChem CID84596741
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-(1,4-dioxaspiro[4.5]decan-3-yl)-N-[(2-methyl-3-pyridinyl)methyl]methanamine
SMILESCc1ncccc1CNCC1COC2(CCCCC2)O1
InChIInChI=1S/C16H24N2O2/c1-13-14(6-5-9-18-13)10-17-11-15-12-19-16(20-15)7-3-2-4-8-16/h5-6,9,15,17H,2-4,7-8,10-12H2,1H3
InChIKeySSQAWBSXAJRFDP-UHFFFAOYSA-N
XLogP2.56
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxaspiro[4.5]decan-3-yl)-N-[(2-methyl-3-pyridinyl)methyl]methanamine?
The IUPAC name of 1-(1,4-dioxaspiro[4.5]decan-3-yl)-N-[(2-methyl-3-pyridinyl)methyl]methanamine (CID 84596741) is 1-(1,4-dioxaspiro[4.5]decan-3-yl)-N-[(2-methyl-3-pyridinyl)methyl]methanamine.
What is the SMILES notation for 1-(1,4-dioxaspiro[4.5]decan-3-yl)-N-[(2-methyl-3-pyridinyl)methyl]methanamine?
The canonical SMILES for 1-(1,4-dioxaspiro[4.5]decan-3-yl)-N-[(2-methyl-3-pyridinyl)methyl]methanamine is Cc1ncccc1CNCC1COC2(CCCCC2)O1.
What is the InChIKey of 1-(1,4-dioxaspiro[4.5]decan-3-yl)-N-[(2-methyl-3-pyridinyl)methyl]methanamine?
The InChIKey is SSQAWBSXAJRFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-13-14(6-5-9-18-13)10-17-11-15-12-19-16(20-15)7-3-2-4-8-16/h5-6,9,15,17H,2-4,7-8,10-12H2,1H3.
What are the key properties of 1-(1,4-dioxaspiro[4.5]decan-3-yl)-N-[(2-methyl-3-pyridinyl)methyl]methanamine?
1-(1,4-dioxaspiro[4.5]decan-3-yl)-N-[(2-methyl-3-pyridinyl)methyl]methanamine has a molecular weight of 276.38 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxaspiro[4.5]decan-3-yl)-N-[(2-methyl-3-pyridinyl)methyl]methanamine is sourced from PubChem (CID 84596741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).