N-[(2-ethoxy-3-pyridinyl)methyl]-1,4-dioxaspiro[4.6]undecan-8-amine

C17H26N2O3 — CID 136574415

IUPACN-[(2-ethoxy-3-pyridinyl)methyl]-1,4-dioxaspiro[4.6]undecan-8-amine
SMILESCCOc1ncccc1CNC1CCCC2(CC1)OCCO2
InChIInChI=1S/C17H26N2O3/c1-2-20-16-14(5-4-10-18-16)13-19-15-6-3-8-17(9-7-15)21-11-12-22-17/h4-5,10,15,19H,2-3,6-9,11-13H2,1H3
InChIKeyQXOQWDJXZAFUTA-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.65
Rot. Bonds5

About N-[(2-ethoxy-3-pyridinyl)methyl]-1,4-dioxaspiro[4.6]undecan-8-amine

N-[(2-ethoxy-3-pyridinyl)methyl]-1,4-dioxaspiro[4.6]undecan-8-amine (PubChem CID 136574415) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[(2-ethoxy-3-pyridinyl)methyl]-1,4-dioxaspiro[4.6]undecan-8-amine.

Molecular Properties

Compound NameN-[(2-ethoxy-3-pyridinyl)methyl]-1,4-dioxaspiro[4.6]undecan-8-amine
PubChem CID136574415
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC NameN-[(2-ethoxy-3-pyridinyl)methyl]-1,4-dioxaspiro[4.6]undecan-8-amine
SMILESCCOc1ncccc1CNC1CCCC2(CC1)OCCO2
InChIInChI=1S/C17H26N2O3/c1-2-20-16-14(5-4-10-18-16)13-19-15-6-3-8-17(9-7-15)21-11-12-22-17/h4-5,10,15,19H,2-3,6-9,11-13H2,1H3
InChIKeyQXOQWDJXZAFUTA-UHFFFAOYSA-N
XLogP2.65
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2-ethoxy-3-pyridinyl)methyl]-1,4-dioxaspiro[4.6]undecan-8-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxy-3-pyridinyl)methyl]-1,4-dioxaspiro[4.6]undecan-8-amine?
The IUPAC name of N-[(2-ethoxy-3-pyridinyl)methyl]-1,4-dioxaspiro[4.6]undecan-8-amine (CID 136574415) is N-[(2-ethoxy-3-pyridinyl)methyl]-1,4-dioxaspiro[4.6]undecan-8-amine.
What is the SMILES notation for N-[(2-ethoxy-3-pyridinyl)methyl]-1,4-dioxaspiro[4.6]undecan-8-amine?
The canonical SMILES for N-[(2-ethoxy-3-pyridinyl)methyl]-1,4-dioxaspiro[4.6]undecan-8-amine is CCOc1ncccc1CNC1CCCC2(CC1)OCCO2.
What is the InChIKey of N-[(2-ethoxy-3-pyridinyl)methyl]-1,4-dioxaspiro[4.6]undecan-8-amine?
The InChIKey is QXOQWDJXZAFUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-2-20-16-14(5-4-10-18-16)13-19-15-6-3-8-17(9-7-15)21-11-12-22-17/h4-5,10,15,19H,2-3,6-9,11-13H2,1H3.
What are the key properties of N-[(2-ethoxy-3-pyridinyl)methyl]-1,4-dioxaspiro[4.6]undecan-8-amine?
N-[(2-ethoxy-3-pyridinyl)methyl]-1,4-dioxaspiro[4.6]undecan-8-amine has a molecular weight of 306.41 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxy-3-pyridinyl)methyl]-1,4-dioxaspiro[4.6]undecan-8-amine is sourced from PubChem (CID 136574415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).