5-(3-chlorophenyl)-9-ethyl-3-azaspiro[5.6]dodecane

C19H28ClN — CID 79430330

IUPAC5-(3-chlorophenyl)-9-ethyl-3-azaspiro[5.6]dodecane
SMILESCCC1CCCC2(CCNCC2c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H28ClN/c1-2-15-5-4-9-19(10-8-15)11-12-21-14-18(19)16-6-3-7-17(20)13-16/h3,6-7,13,15,18,21H,2,4-5,8-12,14H2,1H3
InChIKeyVZTHKFIUGHMALN-UHFFFAOYSA-N
MW305.89 g/mol
LogP5.39
Rot. Bonds2

About 5-(3-chlorophenyl)-9-ethyl-3-azaspiro[5.6]dodecane

5-(3-chlorophenyl)-9-ethyl-3-azaspiro[5.6]dodecane (PubChem CID 79430330) has the molecular formula C19H28ClN and a molecular weight of 305.89 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-9-ethyl-3-azaspiro[5.6]dodecane.

Molecular Properties

Compound Name5-(3-chlorophenyl)-9-ethyl-3-azaspiro[5.6]dodecane
PubChem CID79430330
Molecular FormulaC19H28ClN
Molecular Weight305.89 g/mol
Exact Mass305.19
IUPAC Name5-(3-chlorophenyl)-9-ethyl-3-azaspiro[5.6]dodecane
SMILESCCC1CCCC2(CCNCC2c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H28ClN/c1-2-15-5-4-9-19(10-8-15)11-12-21-14-18(19)16-6-3-7-17(20)13-16/h3,6-7,13,15,18,21H,2,4-5,8-12,14H2,1H3
InChIKeyVZTHKFIUGHMALN-UHFFFAOYSA-N
XLogP5.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.89
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-9-ethyl-3-azaspiro[5.6]dodecane?
The IUPAC name of 5-(3-chlorophenyl)-9-ethyl-3-azaspiro[5.6]dodecane (CID 79430330) is 5-(3-chlorophenyl)-9-ethyl-3-azaspiro[5.6]dodecane.
What is the SMILES notation for 5-(3-chlorophenyl)-9-ethyl-3-azaspiro[5.6]dodecane?
The canonical SMILES for 5-(3-chlorophenyl)-9-ethyl-3-azaspiro[5.6]dodecane is CCC1CCCC2(CCNCC2c2cccc(Cl)c2)CC1.
What is the InChIKey of 5-(3-chlorophenyl)-9-ethyl-3-azaspiro[5.6]dodecane?
The InChIKey is VZTHKFIUGHMALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN/c1-2-15-5-4-9-19(10-8-15)11-12-21-14-18(19)16-6-3-7-17(20)13-16/h3,6-7,13,15,18,21H,2,4-5,8-12,14H2,1H3.
What are the key properties of 5-(3-chlorophenyl)-9-ethyl-3-azaspiro[5.6]dodecane?
5-(3-chlorophenyl)-9-ethyl-3-azaspiro[5.6]dodecane has a molecular weight of 305.89 g/mol, XLogP of 5.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-9-ethyl-3-azaspiro[5.6]dodecane is sourced from PubChem (CID 79430330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).