9-tert-butyl-5-cyclopentyl-3-azaspiro[5.5]undecane

C19H35N — CID 115927129

IUPAC9-tert-butyl-5-cyclopentyl-3-azaspiro[5.5]undecane
SMILESCC(C)(C)C1CCC2(CCNCC2C2CCCC2)CC1
InChIInChI=1S/C19H35N/c1-18(2,3)16-8-10-19(11-9-16)12-13-20-14-17(19)15-6-4-5-7-15/h15-17,20H,4-14H2,1-3H3
InChIKeyTZICFINYTNQNAA-UHFFFAOYSA-N
MW277.50 g/mol
LogP5.01
Rot. Bonds1

About 9-tert-butyl-5-cyclopentyl-3-azaspiro[5.5]undecane

9-tert-butyl-5-cyclopentyl-3-azaspiro[5.5]undecane (PubChem CID 115927129) has the molecular formula C19H35N and a molecular weight of 277.50 g/mol. Its IUPAC name is 9-tert-butyl-5-cyclopentyl-3-azaspiro[5.5]undecane.

Molecular Properties

Compound Name9-tert-butyl-5-cyclopentyl-3-azaspiro[5.5]undecane
PubChem CID115927129
Molecular FormulaC19H35N
Molecular Weight277.50 g/mol
Exact Mass277.28
IUPAC Name9-tert-butyl-5-cyclopentyl-3-azaspiro[5.5]undecane
SMILESCC(C)(C)C1CCC2(CCNCC2C2CCCC2)CC1
InChIInChI=1S/C19H35N/c1-18(2,3)16-8-10-19(11-9-16)12-13-20-14-17(19)15-6-4-5-7-15/h15-17,20H,4-14H2,1-3H3
InChIKeyTZICFINYTNQNAA-UHFFFAOYSA-N
XLogP5.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.50
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 9-tert-butyl-5-cyclopentyl-3-azaspiro[5.5]undecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-cyclopentyl-3-azaspiro[5.6]dodecane
CID 112570787
5-cyclopentyl-9-propan-2-yl-3-azaspiro[5.5]undecane
CID 112570873
11-cyclopentyl-3-oxa-9-azaspiro[5.5]undecane
CID 112570802
11-cyclopentyl-3-ethyl-3,9-diazaspiro[5.5]undecane
CID 112570790
3-cyclopentyl-4-(2-methoxy-2-methylpropyl)-4-methylpiperidine
CID 112570898
6-cyclopentyl-2λ6-thia-8-azaspiro[4.5]decane 2,2-dioxide
CID 112570757
3-cyclohexyl-4-fluoro-4-methylpiperidine
CID 84721139
3-cycloheptyl-4-fluoro-4-methylpiperidine
CID 84723549
4-(4-tert-butylcyclohexyl)-3-cyclopentylpiperidine
CID 104576151
3-cyclopentyl-4-methyl-4-propan-2-ylpiperidine
CID 112570765
3-cyclobutyl-4-fluoro-4-methylpiperidine
CID 84717415
2-cyclopentyl-5-azaspiro[2.4]heptane
CID 115013095

Frequently Asked Questions

What is the IUPAC name of 9-tert-butyl-5-cyclopentyl-3-azaspiro[5.5]undecane?
The IUPAC name of 9-tert-butyl-5-cyclopentyl-3-azaspiro[5.5]undecane (CID 115927129) is 9-tert-butyl-5-cyclopentyl-3-azaspiro[5.5]undecane.
What is the SMILES notation for 9-tert-butyl-5-cyclopentyl-3-azaspiro[5.5]undecane?
The canonical SMILES for 9-tert-butyl-5-cyclopentyl-3-azaspiro[5.5]undecane is CC(C)(C)C1CCC2(CCNCC2C2CCCC2)CC1.
What is the InChIKey of 9-tert-butyl-5-cyclopentyl-3-azaspiro[5.5]undecane?
The InChIKey is TZICFINYTNQNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N/c1-18(2,3)16-8-10-19(11-9-16)12-13-20-14-17(19)15-6-4-5-7-15/h15-17,20H,4-14H2,1-3H3.
What are the key properties of 9-tert-butyl-5-cyclopentyl-3-azaspiro[5.5]undecane?
9-tert-butyl-5-cyclopentyl-3-azaspiro[5.5]undecane has a molecular weight of 277.50 g/mol, XLogP of 5.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-tert-butyl-5-cyclopentyl-3-azaspiro[5.5]undecane is sourced from PubChem (CID 115927129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).