2-[1-(1-propan-2-yl-1-azaspiro[2.5]octan-2-yl)propan-2-yl]-2-azaspiro[3.5]nonane

C21H38N2 — CID 167138592

IUPAC2-[1-(1-propan-2-yl-1-azaspiro[2.5]octan-2-yl)propan-2-yl]-2-azaspiro[3.5]nonane
SMILESCC(CC1N(C(C)C)C12CCCCC2)N1CC2(CCCCC2)C1
InChIInChI=1S/C21H38N2/c1-17(2)23-19(21(23)12-8-5-9-13-21)14-18(3)22-15-20(16-22)10-6-4-7-11-20/h17-19H,4-16H2,1-3H3
InChIKeyCVJCJNSEWWIZNE-UHFFFAOYSA-N
MW318.55 g/mol
LogP4.83
Rot. Bonds4

About 2-[1-(1-propan-2-yl-1-azaspiro[2.5]octan-2-yl)propan-2-yl]-2-azaspiro[3.5]nonane

2-[1-(1-propan-2-yl-1-azaspiro[2.5]octan-2-yl)propan-2-yl]-2-azaspiro[3.5]nonane (PubChem CID 167138592) has the molecular formula C21H38N2 and a molecular weight of 318.55 g/mol. Its IUPAC name is 2-[1-(1-propan-2-yl-1-azaspiro[2.5]octan-2-yl)propan-2-yl]-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-[1-(1-propan-2-yl-1-azaspiro[2.5]octan-2-yl)propan-2-yl]-2-azaspiro[3.5]nonane
PubChem CID167138592
Molecular FormulaC21H38N2
Molecular Weight318.55 g/mol
Exact Mass318.30
IUPAC Name2-[1-(1-propan-2-yl-1-azaspiro[2.5]octan-2-yl)propan-2-yl]-2-azaspiro[3.5]nonane
SMILESCC(CC1N(C(C)C)C12CCCCC2)N1CC2(CCCCC2)C1
InChIInChI=1S/C21H38N2/c1-17(2)23-19(21(23)12-8-5-9-13-21)14-18(3)22-15-20(16-22)10-6-4-7-11-20/h17-19H,4-16H2,1-3H3
InChIKeyCVJCJNSEWWIZNE-UHFFFAOYSA-N
XLogP4.83
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.55
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(2-azaspiro[3.5]nonan-2-yl)propan-1-ol
CID 104550126
2-propan-2-yl-2-azaspiro[3.4]octane
CID 118357245
2-(2-azaspiro[3.4]octan-2-yl)propan-1-ol
CID 104549199
3-(2-azaspiro[3.6]decan-2-yl)butanoic acid
CID 79686841
azane;fluoroform;2-propan-2-yl-2-azaspiro[3.5]nonane
CID 170629279
2,8-di(propan-2-yl)-2-azaspiro[3.7]undecane
CID 170930119
ethane;2-propan-2-yl-2-azaspiro[4.5]decane
CID 144877753
2-butan-2-yl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane
CID 170952212
2-(2-azaspiro[3.6]decan-2-yl)propane-1,3-diol
CID 104550086
4-(5-azaspiro[2.3]hexan-5-yl)pentan-2-amine
CID 130646251
3-(2-azaspiro[3.4]octan-2-yl)butan-2-amine
CID 130963997
2-(2-azaspiro[3.4]octan-2-yl)butanenitrile
CID 130643612

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-propan-2-yl-1-azaspiro[2.5]octan-2-yl)propan-2-yl]-2-azaspiro[3.5]nonane?
The IUPAC name of 2-[1-(1-propan-2-yl-1-azaspiro[2.5]octan-2-yl)propan-2-yl]-2-azaspiro[3.5]nonane (CID 167138592) is 2-[1-(1-propan-2-yl-1-azaspiro[2.5]octan-2-yl)propan-2-yl]-2-azaspiro[3.5]nonane.
What is the SMILES notation for 2-[1-(1-propan-2-yl-1-azaspiro[2.5]octan-2-yl)propan-2-yl]-2-azaspiro[3.5]nonane?
The canonical SMILES for 2-[1-(1-propan-2-yl-1-azaspiro[2.5]octan-2-yl)propan-2-yl]-2-azaspiro[3.5]nonane is CC(CC1N(C(C)C)C12CCCCC2)N1CC2(CCCCC2)C1.
What is the InChIKey of 2-[1-(1-propan-2-yl-1-azaspiro[2.5]octan-2-yl)propan-2-yl]-2-azaspiro[3.5]nonane?
The InChIKey is CVJCJNSEWWIZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N2/c1-17(2)23-19(21(23)12-8-5-9-13-21)14-18(3)22-15-20(16-22)10-6-4-7-11-20/h17-19H,4-16H2,1-3H3.
What are the key properties of 2-[1-(1-propan-2-yl-1-azaspiro[2.5]octan-2-yl)propan-2-yl]-2-azaspiro[3.5]nonane?
2-[1-(1-propan-2-yl-1-azaspiro[2.5]octan-2-yl)propan-2-yl]-2-azaspiro[3.5]nonane has a molecular weight of 318.55 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-propan-2-yl-1-azaspiro[2.5]octan-2-yl)propan-2-yl]-2-azaspiro[3.5]nonane is sourced from PubChem (CID 167138592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).