2-methyl-N-(1,4,8-trioxaspiro[4.5]decan-3-ylmethyl)pyridin-4-amine

C14H20N2O3 — CID 133490570

IUPAC2-methyl-N-(1,4,8-trioxaspiro[4.5]decan-3-ylmethyl)pyridin-4-amine
SMILESCc1cc(NCC2COC3(CCOCC3)O2)ccn1
InChIInChI=1S/C14H20N2O3/c1-11-8-12(2-5-15-11)16-9-13-10-18-14(19-13)3-6-17-7-4-14/h2,5,8,13H,3-4,6-7,9-10H2,1H3,(H,15,16)
InChIKeyQWATYELBSXIDMV-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.72
Rot. Bonds3

About 2-methyl-N-(1,4,8-trioxaspiro[4.5]decan-3-ylmethyl)pyridin-4-amine

2-methyl-N-(1,4,8-trioxaspiro[4.5]decan-3-ylmethyl)pyridin-4-amine (PubChem CID 133490570) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-methyl-N-(1,4,8-trioxaspiro[4.5]decan-3-ylmethyl)pyridin-4-amine.

Molecular Properties

Compound Name2-methyl-N-(1,4,8-trioxaspiro[4.5]decan-3-ylmethyl)pyridin-4-amine
PubChem CID133490570
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-methyl-N-(1,4,8-trioxaspiro[4.5]decan-3-ylmethyl)pyridin-4-amine
SMILESCc1cc(NCC2COC3(CCOCC3)O2)ccn1
InChIInChI=1S/C14H20N2O3/c1-11-8-12(2-5-15-11)16-9-13-10-18-14(19-13)3-6-17-7-4-14/h2,5,8,13H,3-4,6-7,9-10H2,1H3,(H,15,16)
InChIKeyQWATYELBSXIDMV-UHFFFAOYSA-N
XLogP1.72
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-(1,4,8-trioxaspiro[4.5]decan-3-ylmethyl)pyridin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,2-diethoxyethyl)pyridine-2-methylamine
CID 81407
N-(oxolan-2-ylmethyl)pyridin-4-amine
CID 43099472
N-[(4-methylmorpholin-2-yl)methyl]-2-pyridin-2-ylethanamine
CID 53584337
1-(4-ethylmorpholin-2-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 53592771
1-(1,4-dioxaspiro[4.5]decan-3-yl)-N-[(2-methyl-3-pyridinyl)methyl]methanamine
CID 84596741
N1-(1,4-dioxaspiro[4.4]nonan-2-ylmethyl)-N2-(pyridin-2-ylmethyl)oxalamide
CID 18583993
N-(2-(2-(2-methoxyethoxy)ethoxy)ethyl)pyridin-4-amine
CID 91971360
4-[(Oxolan-2-ylmethyl)amino]pyridine-2-carbonitrile
CID 62924646
1,1,1-trifluoro-3-pyridin-4-yl-N-(1,4,8-trioxaspiro[4.5]decan-3-ylmethyl)propan-2-amine
CID 75498060
9-[(2-Methyl-3-pyridinyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane
CID 75506845
1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[[3-(trifluoromethyl)pyridin-4-yl]amino]ethanol
CID 136588817
4-[(3S)-3-(2-methoxyethoxy)pyrrolidin-1-yl]pyridine-2-carbonitrile
CID 164638621

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1,4,8-trioxaspiro[4.5]decan-3-ylmethyl)pyridin-4-amine?
The IUPAC name of 2-methyl-N-(1,4,8-trioxaspiro[4.5]decan-3-ylmethyl)pyridin-4-amine (CID 133490570) is 2-methyl-N-(1,4,8-trioxaspiro[4.5]decan-3-ylmethyl)pyridin-4-amine.
What is the SMILES notation for 2-methyl-N-(1,4,8-trioxaspiro[4.5]decan-3-ylmethyl)pyridin-4-amine?
The canonical SMILES for 2-methyl-N-(1,4,8-trioxaspiro[4.5]decan-3-ylmethyl)pyridin-4-amine is Cc1cc(NCC2COC3(CCOCC3)O2)ccn1.
What is the InChIKey of 2-methyl-N-(1,4,8-trioxaspiro[4.5]decan-3-ylmethyl)pyridin-4-amine?
The InChIKey is QWATYELBSXIDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-11-8-12(2-5-15-11)16-9-13-10-18-14(19-13)3-6-17-7-4-14/h2,5,8,13H,3-4,6-7,9-10H2,1H3,(H,15,16).
What are the key properties of 2-methyl-N-(1,4,8-trioxaspiro[4.5]decan-3-ylmethyl)pyridin-4-amine?
2-methyl-N-(1,4,8-trioxaspiro[4.5]decan-3-ylmethyl)pyridin-4-amine has a molecular weight of 264.32 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1,4,8-trioxaspiro[4.5]decan-3-ylmethyl)pyridin-4-amine is sourced from PubChem (CID 133490570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).