2-(4-propan-2-ylphenyl)-2,8-diazaspiro[4.5]decane

C17H26N2 — CID 82483749

IUPAC2-(4-propan-2-ylphenyl)-2,8-diazaspiro[4.5]decane
SMILESCC(C)c1ccc(N2CCC3(CCNCC3)C2)cc1
InChIInChI=1S/C17H26N2/c1-14(2)15-3-5-16(6-4-15)19-12-9-17(13-19)7-10-18-11-8-17/h3-6,14,18H,7-13H2,1-2H3
InChIKeyTUSLQRNRYYLYFE-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.39
Rot. Bonds2

About 2-(4-propan-2-ylphenyl)-2,8-diazaspiro[4.5]decane

2-(4-propan-2-ylphenyl)-2,8-diazaspiro[4.5]decane (PubChem CID 82483749) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 2-(4-propan-2-ylphenyl)-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-(4-propan-2-ylphenyl)-2,8-diazaspiro[4.5]decane
PubChem CID82483749
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name2-(4-propan-2-ylphenyl)-2,8-diazaspiro[4.5]decane
SMILESCC(C)c1ccc(N2CCC3(CCNCC3)C2)cc1
InChIInChI=1S/C17H26N2/c1-14(2)15-3-5-16(6-4-15)19-12-9-17(13-19)7-10-18-11-8-17/h3-6,14,18H,7-13H2,1-2H3
InChIKeyTUSLQRNRYYLYFE-UHFFFAOYSA-N
XLogP3.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 2-(4-propan-2-ylphenyl)-2,8-diazaspiro[4.5]decane 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

2-(4-tert-butylphenyl)-2,8-diazaspiro[4.5]decane
CID 96668742
3-(4-chlorophenyl)-3,9-diazaspiro[5.5]undecane
CID 15940805
2-[(4-propan-2-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane;dihydrochloride
CID 154891864
(3R)-3-(difluoromethyl)-3-methyl-1-(4-propan-2-ylphenyl)pyrrolidine
CID 165032426
(3R)-3-(difluoromethyl)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol
CID 164739379
3,3-dimethyl-1-(4-propan-2-ylphenyl)-1,4-diazepane
CID 64941714
1-methyl-6-(4-propan-2-ylphenyl)-1,6-diazaspiro[3.3]heptane
CID 164739201
3-(aminomethyl)-N,N-dimethyl-1-(4-propan-2-ylphenyl)pyrrolidin-3-amine
CID 117012473
2-(5-chloro-2-methylphenyl)-2,8-diazaspiro[4.5]decane
CID 82486515
4-(3,9-diazaspiro[5.5]undecan-3-yl)benzonitrile
CID 15940810
2-[3-methyl-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]acetic acid
CID 117013155
2-(4-propan-2-yloxyphenyl)-2-azaspiro[4.5]decane
CID 141308717

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylphenyl)-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-(4-propan-2-ylphenyl)-2,8-diazaspiro[4.5]decane (CID 82483749) is 2-(4-propan-2-ylphenyl)-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-(4-propan-2-ylphenyl)-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-(4-propan-2-ylphenyl)-2,8-diazaspiro[4.5]decane is CC(C)c1ccc(N2CCC3(CCNCC3)C2)cc1.
What is the InChIKey of 2-(4-propan-2-ylphenyl)-2,8-diazaspiro[4.5]decane?
The InChIKey is TUSLQRNRYYLYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-14(2)15-3-5-16(6-4-15)19-12-9-17(13-19)7-10-18-11-8-17/h3-6,14,18H,7-13H2,1-2H3.
What are the key properties of 2-(4-propan-2-ylphenyl)-2,8-diazaspiro[4.5]decane?
2-(4-propan-2-ylphenyl)-2,8-diazaspiro[4.5]decane has a molecular weight of 258.41 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylphenyl)-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 82483749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).