6-hexan-3-yl-2-oxa-6-azaspiro[3.3]heptane

C11H21NO — CID 170384687

IUPAC6-hexan-3-yl-2-oxa-6-azaspiro[3.3]heptane
SMILESCCCC(CC)N1CC2(COC2)C1
InChIInChI=1S/C11H21NO/c1-3-5-10(4-2)12-6-11(7-12)8-13-9-11/h10H,3-9H2,1-2H3
InChIKeyBVVOOSMNDHUKFW-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.90
Rot. Bonds4

About 6-hexan-3-yl-2-oxa-6-azaspiro[3.3]heptane

6-hexan-3-yl-2-oxa-6-azaspiro[3.3]heptane (PubChem CID 170384687) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 6-hexan-3-yl-2-oxa-6-azaspiro[3.3]heptane.

Molecular Properties

Compound Name6-hexan-3-yl-2-oxa-6-azaspiro[3.3]heptane
PubChem CID170384687
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name6-hexan-3-yl-2-oxa-6-azaspiro[3.3]heptane
SMILESCCCC(CC)N1CC2(COC2)C1
InChIInChI=1S/C11H21NO/c1-3-5-10(4-2)12-6-11(7-12)8-13-9-11/h10H,3-9H2,1-2H3
InChIKeyBVVOOSMNDHUKFW-UHFFFAOYSA-N
XLogP1.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-hexan-3-yl-2-oxa-6-azaspiro[3.3]heptane 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 6-hexan-3-yl-2-oxa-6-azaspiro[3.3]heptane?
The IUPAC name of 6-hexan-3-yl-2-oxa-6-azaspiro[3.3]heptane (CID 170384687) is 6-hexan-3-yl-2-oxa-6-azaspiro[3.3]heptane.
What is the SMILES notation for 6-hexan-3-yl-2-oxa-6-azaspiro[3.3]heptane?
The canonical SMILES for 6-hexan-3-yl-2-oxa-6-azaspiro[3.3]heptane is CCCC(CC)N1CC2(COC2)C1.
What is the InChIKey of 6-hexan-3-yl-2-oxa-6-azaspiro[3.3]heptane?
The InChIKey is BVVOOSMNDHUKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-5-10(4-2)12-6-11(7-12)8-13-9-11/h10H,3-9H2,1-2H3.
What are the key properties of 6-hexan-3-yl-2-oxa-6-azaspiro[3.3]heptane?
6-hexan-3-yl-2-oxa-6-azaspiro[3.3]heptane has a molecular weight of 183.29 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hexan-3-yl-2-oxa-6-azaspiro[3.3]heptane is sourced from PubChem (CID 170384687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).