4-(3-methoxycyclohexyl)-1,4-diazaspiro[5.5]undecane

C16H30N2O — CID 64833070

IUPAC4-(3-methoxycyclohexyl)-1,4-diazaspiro[5.5]undecane
SMILESCOC1CCCC(N2CCNC3(CCCCC3)C2)C1
InChIInChI=1S/C16H30N2O/c1-19-15-7-5-6-14(12-15)18-11-10-17-16(13-18)8-3-2-4-9-16/h14-15,17H,2-13H2,1H3
InChIKeyDXSLRKPVJVKSJM-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.55
Rot. Bonds2

About 4-(3-methoxycyclohexyl)-1,4-diazaspiro[5.5]undecane

4-(3-methoxycyclohexyl)-1,4-diazaspiro[5.5]undecane (PubChem CID 64833070) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 4-(3-methoxycyclohexyl)-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-(3-methoxycyclohexyl)-1,4-diazaspiro[5.5]undecane
PubChem CID64833070
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name4-(3-methoxycyclohexyl)-1,4-diazaspiro[5.5]undecane
SMILESCOC1CCCC(N2CCNC3(CCCCC3)C2)C1
InChIInChI=1S/C16H30N2O/c1-19-15-7-5-6-14(12-15)18-11-10-17-16(13-18)8-3-2-4-9-16/h14-15,17H,2-13H2,1H3
InChIKeyDXSLRKPVJVKSJM-UHFFFAOYSA-N
XLogP2.55
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxycyclohexyl)-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 4-(3-methoxycyclohexyl)-1,4-diazaspiro[5.5]undecane (CID 64833070) is 4-(3-methoxycyclohexyl)-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-(3-methoxycyclohexyl)-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 4-(3-methoxycyclohexyl)-1,4-diazaspiro[5.5]undecane is COC1CCCC(N2CCNC3(CCCCC3)C2)C1.
What is the InChIKey of 4-(3-methoxycyclohexyl)-1,4-diazaspiro[5.5]undecane?
The InChIKey is DXSLRKPVJVKSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-19-15-7-5-6-14(12-15)18-11-10-17-16(13-18)8-3-2-4-9-16/h14-15,17H,2-13H2,1H3.
What are the key properties of 4-(3-methoxycyclohexyl)-1,4-diazaspiro[5.5]undecane?
4-(3-methoxycyclohexyl)-1,4-diazaspiro[5.5]undecane has a molecular weight of 266.43 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxycyclohexyl)-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 64833070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).