N-(3-ethoxy-2,2-dimethylcyclobutyl)-5-oxaspiro[3.5]nonan-8-amine

C16H29NO2 — CID 103921996

IUPACN-(3-ethoxy-2,2-dimethylcyclobutyl)-5-oxaspiro[3.5]nonan-8-amine
SMILESCCOC1CC(NC2CCOC3(CCC3)C2)C1(C)C
InChIInChI=1S/C16H29NO2/c1-4-18-14-10-13(15(14,2)3)17-12-6-9-19-16(11-12)7-5-8-16/h12-14,17H,4-11H2,1-3H3
InChIKeyNAMCFCRWDNDPTO-UHFFFAOYSA-N
MW267.41 g/mol
LogP2.88
Rot. Bonds4

About N-(3-ethoxy-2,2-dimethylcyclobutyl)-5-oxaspiro[3.5]nonan-8-amine

N-(3-ethoxy-2,2-dimethylcyclobutyl)-5-oxaspiro[3.5]nonan-8-amine (PubChem CID 103921996) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is N-(3-ethoxy-2,2-dimethylcyclobutyl)-5-oxaspiro[3.5]nonan-8-amine.

Molecular Properties

Compound NameN-(3-ethoxy-2,2-dimethylcyclobutyl)-5-oxaspiro[3.5]nonan-8-amine
PubChem CID103921996
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC NameN-(3-ethoxy-2,2-dimethylcyclobutyl)-5-oxaspiro[3.5]nonan-8-amine
SMILESCCOC1CC(NC2CCOC3(CCC3)C2)C1(C)C
InChIInChI=1S/C16H29NO2/c1-4-18-14-10-13(15(14,2)3)17-12-6-9-19-16(11-12)7-5-8-16/h12-14,17H,4-11H2,1-3H3
InChIKeyNAMCFCRWDNDPTO-UHFFFAOYSA-N
XLogP2.88
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-ethoxy-2,2-dimethylcyclobutyl)-5-oxaspiro[3.5]nonan-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-(3-ethoxy-2,2-dimethylcyclobutyl)-5-oxaspiro[3.5]nonan-8-amine?
The IUPAC name of N-(3-ethoxy-2,2-dimethylcyclobutyl)-5-oxaspiro[3.5]nonan-8-amine (CID 103921996) is N-(3-ethoxy-2,2-dimethylcyclobutyl)-5-oxaspiro[3.5]nonan-8-amine.
What is the SMILES notation for N-(3-ethoxy-2,2-dimethylcyclobutyl)-5-oxaspiro[3.5]nonan-8-amine?
The canonical SMILES for N-(3-ethoxy-2,2-dimethylcyclobutyl)-5-oxaspiro[3.5]nonan-8-amine is CCOC1CC(NC2CCOC3(CCC3)C2)C1(C)C.
What is the InChIKey of N-(3-ethoxy-2,2-dimethylcyclobutyl)-5-oxaspiro[3.5]nonan-8-amine?
The InChIKey is NAMCFCRWDNDPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-4-18-14-10-13(15(14,2)3)17-12-6-9-19-16(11-12)7-5-8-16/h12-14,17H,4-11H2,1-3H3.
What are the key properties of N-(3-ethoxy-2,2-dimethylcyclobutyl)-5-oxaspiro[3.5]nonan-8-amine?
N-(3-ethoxy-2,2-dimethylcyclobutyl)-5-oxaspiro[3.5]nonan-8-amine has a molecular weight of 267.41 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-2,2-dimethylcyclobutyl)-5-oxaspiro[3.5]nonan-8-amine is sourced from PubChem (CID 103921996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).