11-[1-(1-cyclohexyltetrazol-5-yl)ethyl]-3,8-dioxa-11-azaspiro[5.6]dodecane

C18H31N5O2 — CID 119034827

IUPAC11-[1-(1-cyclohexyltetrazol-5-yl)ethyl]-3,8-dioxa-11-azaspiro[5.6]dodecane
SMILESCC(c1nnnn1C1CCCCC1)N1CCOCC2(CCOCC2)C1
InChIInChI=1S/C18H31N5O2/c1-15(17-19-20-21-23(17)16-5-3-2-4-6-16)22-9-12-25-14-18(13-22)7-10-24-11-8-18/h15-16H,2-14H2,1H3
InChIKeyXBZQEVXWNTYUGC-UHFFFAOYSA-N
MW349.48 g/mol
LogP2.37
Rot. Bonds3

About 11-[1-(1-cyclohexyltetrazol-5-yl)ethyl]-3,8-dioxa-11-azaspiro[5.6]dodecane

11-[1-(1-cyclohexyltetrazol-5-yl)ethyl]-3,8-dioxa-11-azaspiro[5.6]dodecane (PubChem CID 119034827) has the molecular formula C18H31N5O2 and a molecular weight of 349.48 g/mol. Its IUPAC name is 11-[1-(1-cyclohexyltetrazol-5-yl)ethyl]-3,8-dioxa-11-azaspiro[5.6]dodecane.

Molecular Properties

Compound Name11-[1-(1-cyclohexyltetrazol-5-yl)ethyl]-3,8-dioxa-11-azaspiro[5.6]dodecane
PubChem CID119034827
Molecular FormulaC18H31N5O2
Molecular Weight349.48 g/mol
Exact Mass349.25
IUPAC Name11-[1-(1-cyclohexyltetrazol-5-yl)ethyl]-3,8-dioxa-11-azaspiro[5.6]dodecane
SMILESCC(c1nnnn1C1CCCCC1)N1CCOCC2(CCOCC2)C1
InChIInChI=1S/C18H31N5O2/c1-15(17-19-20-21-23(17)16-5-3-2-4-6-16)22-9-12-25-14-18(13-22)7-10-24-11-8-18/h15-16H,2-14H2,1H3
InChIKeyXBZQEVXWNTYUGC-UHFFFAOYSA-N
XLogP2.37
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 11-[1-(1-cyclohexyltetrazol-5-yl)ethyl]-3,8-dioxa-11-azaspiro[5.6]dodecane 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 11-[1-(1-cyclohexyltetrazol-5-yl)ethyl]-3,8-dioxa-11-azaspiro[5.6]dodecane?
The IUPAC name of 11-[1-(1-cyclohexyltetrazol-5-yl)ethyl]-3,8-dioxa-11-azaspiro[5.6]dodecane (CID 119034827) is 11-[1-(1-cyclohexyltetrazol-5-yl)ethyl]-3,8-dioxa-11-azaspiro[5.6]dodecane.
What is the SMILES notation for 11-[1-(1-cyclohexyltetrazol-5-yl)ethyl]-3,8-dioxa-11-azaspiro[5.6]dodecane?
The canonical SMILES for 11-[1-(1-cyclohexyltetrazol-5-yl)ethyl]-3,8-dioxa-11-azaspiro[5.6]dodecane is CC(c1nnnn1C1CCCCC1)N1CCOCC2(CCOCC2)C1.
What is the InChIKey of 11-[1-(1-cyclohexyltetrazol-5-yl)ethyl]-3,8-dioxa-11-azaspiro[5.6]dodecane?
The InChIKey is XBZQEVXWNTYUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O2/c1-15(17-19-20-21-23(17)16-5-3-2-4-6-16)22-9-12-25-14-18(13-22)7-10-24-11-8-18/h15-16H,2-14H2,1H3.
What are the key properties of 11-[1-(1-cyclohexyltetrazol-5-yl)ethyl]-3,8-dioxa-11-azaspiro[5.6]dodecane?
11-[1-(1-cyclohexyltetrazol-5-yl)ethyl]-3,8-dioxa-11-azaspiro[5.6]dodecane has a molecular weight of 349.48 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[1-(1-cyclohexyltetrazol-5-yl)ethyl]-3,8-dioxa-11-azaspiro[5.6]dodecane is sourced from PubChem (CID 119034827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).