7-(2-propoxyethoxy)-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine

C16H31NO4 — CID 63685078

IUPAC7-(2-propoxyethoxy)-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCCCNC1CCC2(CC1OCCOCCC)OCCO2
InChIInChI=1S/C16H31NO4/c1-3-7-17-14-5-6-16(20-11-12-21-16)13-15(14)19-10-9-18-8-4-2/h14-15,17H,3-13H2,1-2H3
InChIKeyKKJGDMWADIHTRB-UHFFFAOYSA-N
MW301.43 g/mol
LogP2.09
Rot. Bonds9

About 7-(2-propoxyethoxy)-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine

7-(2-propoxyethoxy)-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 63685078) has the molecular formula C16H31NO4 and a molecular weight of 301.43 g/mol. Its IUPAC name is 7-(2-propoxyethoxy)-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound Name7-(2-propoxyethoxy)-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID63685078
Molecular FormulaC16H31NO4
Molecular Weight301.43 g/mol
Exact Mass301.23
IUPAC Name7-(2-propoxyethoxy)-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCCCNC1CCC2(CC1OCCOCCC)OCCO2
InChIInChI=1S/C16H31NO4/c1-3-7-17-14-5-6-16(20-11-12-21-16)13-15(14)19-10-9-18-8-4-2/h14-15,17H,3-13H2,1-2H3
InChIKeyKKJGDMWADIHTRB-UHFFFAOYSA-N
XLogP2.09
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 7-(2-propoxyethoxy)-N-propyl-1,4-dioxaspiro[4.5]decan-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 7-(2-propoxyethoxy)-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of 7-(2-propoxyethoxy)-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine (CID 63685078) is 7-(2-propoxyethoxy)-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for 7-(2-propoxyethoxy)-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for 7-(2-propoxyethoxy)-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine is CCCNC1CCC2(CC1OCCOCCC)OCCO2.
What is the InChIKey of 7-(2-propoxyethoxy)-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is KKJGDMWADIHTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO4/c1-3-7-17-14-5-6-16(20-11-12-21-16)13-15(14)19-10-9-18-8-4-2/h14-15,17H,3-13H2,1-2H3.
What are the key properties of 7-(2-propoxyethoxy)-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine?
7-(2-propoxyethoxy)-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 301.43 g/mol, XLogP of 2.09, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-propoxyethoxy)-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 63685078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).