2-(3-propan-2-ylphenyl)-2-azaspiro[3.3]heptane

C15H21N — CID 170688085

IUPAC2-(3-propan-2-ylphenyl)-2-azaspiro[3.3]heptane
SMILESCC(C)c1cccc(N2CC3(CCC3)C2)c1
InChIInChI=1S/C15H21N/c1-12(2)13-5-3-6-14(9-13)16-10-15(11-16)7-4-8-15/h3,5-6,9,12H,4,7-8,10-11H2,1-2H3
InChIKeyCMJFHULUFKZGQC-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.80
Rot. Bonds2

About 2-(3-propan-2-ylphenyl)-2-azaspiro[3.3]heptane

2-(3-propan-2-ylphenyl)-2-azaspiro[3.3]heptane (PubChem CID 170688085) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-(3-propan-2-ylphenyl)-2-azaspiro[3.3]heptane.

Molecular Properties

Compound Name2-(3-propan-2-ylphenyl)-2-azaspiro[3.3]heptane
PubChem CID170688085
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name2-(3-propan-2-ylphenyl)-2-azaspiro[3.3]heptane
SMILESCC(C)c1cccc(N2CC3(CCC3)C2)c1
InChIInChI=1S/C15H21N/c1-12(2)13-5-3-6-14(9-13)16-10-15(11-16)7-4-8-15/h3,5-6,9,12H,4,7-8,10-11H2,1-2H3
InChIKeyCMJFHULUFKZGQC-UHFFFAOYSA-N
XLogP3.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(3-propan-2-ylphenyl)-2-azaspiro[3.3]heptane 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

4,4-dimethyl-1-(3-propan-2-ylphenyl)piperidine
CID 165121154
3-(2-azaspiro[3.5]nonan-2-yl)aniline
CID 79689315
8-methyl-3-(3-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane
CID 169288841
3,3-diethyl-1-(3-propan-2-ylphenyl)-1,4-diazepane
CID 64943529
3-[1-(2-azaspiro[3.3]heptan-2-yl)ethyl]aniline
CID 79689666
2-[1,3-bis(3-propan-2-ylphenyl)imidazolidin-2-ylidene]-1,3-bis(3-propan-2-ylphenyl)imidazolidine
CID 118133804
1-[3-(2-azaspiro[3.6]decan-2-yl)phenyl]-N-methylmethanamine
CID 79677029
1-(3-propan-2-ylphenyl)pyrrolidin-3-one
CID 43314859
3-methyl-1-(3-propan-2-ylphenyl)piperazine
CID 20814161
1-(3-cyclopropyl-5-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine
CID 156851276
1-(3-propan-2-ylphenyl)cyclobutan-1-ol
CID 170997587
1-(3-propan-2-ylphenyl)cyclobutan-1-amine
CID 82603155

Frequently Asked Questions

What is the IUPAC name of 2-(3-propan-2-ylphenyl)-2-azaspiro[3.3]heptane?
The IUPAC name of 2-(3-propan-2-ylphenyl)-2-azaspiro[3.3]heptane (CID 170688085) is 2-(3-propan-2-ylphenyl)-2-azaspiro[3.3]heptane.
What is the SMILES notation for 2-(3-propan-2-ylphenyl)-2-azaspiro[3.3]heptane?
The canonical SMILES for 2-(3-propan-2-ylphenyl)-2-azaspiro[3.3]heptane is CC(C)c1cccc(N2CC3(CCC3)C2)c1.
What is the InChIKey of 2-(3-propan-2-ylphenyl)-2-azaspiro[3.3]heptane?
The InChIKey is CMJFHULUFKZGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-12(2)13-5-3-6-14(9-13)16-10-15(11-16)7-4-8-15/h3,5-6,9,12H,4,7-8,10-11H2,1-2H3.
What are the key properties of 2-(3-propan-2-ylphenyl)-2-azaspiro[3.3]heptane?
2-(3-propan-2-ylphenyl)-2-azaspiro[3.3]heptane has a molecular weight of 215.34 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propan-2-ylphenyl)-2-azaspiro[3.3]heptane is sourced from PubChem (CID 170688085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).