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

C18H30Cl2N2 — CID 154891864

IUPAC2-[(4-propan-2-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane;dihydrochloride
SMILESCC(C)c1ccc(CN2CCC3(CCNCC3)C2)cc1.Cl.Cl
InChIInChI=1S/C18H28N2.2ClH/c1-15(2)17-5-3-16(4-6-17)13-20-12-9-18(14-20)7-10-19-11-8-18;;/h3-6,15,19H,7-14H2,1-2H3;2*1H
InChIKeyMBICJMQDZMKTEG-UHFFFAOYSA-N
MW345.36 g/mol
LogP4.23
Rot. Bonds3

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

2-[(4-propan-2-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane;dihydrochloride (PubChem CID 154891864) has the molecular formula C18H30Cl2N2 and a molecular weight of 345.36 g/mol. Its IUPAC name is 2-[(4-propan-2-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane;dihydrochloride.

Molecular Properties

Compound Name2-[(4-propan-2-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane;dihydrochloride
PubChem CID154891864
Molecular FormulaC18H30Cl2N2
Molecular Weight345.36 g/mol
Exact Mass344.18
IUPAC Name2-[(4-propan-2-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane;dihydrochloride
SMILESCC(C)c1ccc(CN2CCC3(CCNCC3)C2)cc1.Cl.Cl
InChIInChI=1S/C18H28N2.2ClH/c1-15(2)17-5-3-16(4-6-17)13-20-12-9-18(14-20)7-10-19-11-8-18;;/h3-6,15,19H,7-14H2,1-2H3;2*1H
InChIKeyMBICJMQDZMKTEG-UHFFFAOYSA-N
XLogP4.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(4-propan-2-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane;dihydrochloride 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-[3-(4-propan-2-ylphenyl)propyl]-2,7-diazaspiro[4.4]nonane
CID 82038702
2-[(3,4-dibromophenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906816
2-(4-propan-2-ylphenyl)-2,8-diazaspiro[4.5]decane
CID 82483749
2-[(4-fluoro-3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane
CID 120907093
2-[[3-chloro-4-(difluoromethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane
CID 120907405
9-[(4-propan-2-ylphenyl)methyl]-6,9-diazaspiro[4.5]decane
CID 64832860
2-[(3,4,5-trifluorophenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906720
2-[(1-ethylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906680
2-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120907233
(5R)-2-benzyl-2,7-diazaspiro[4.4]nonane
CID 34178522
2-benzyl-2,7-diazaspiro[4.4]nonane;methanamine
CID 142253116
5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-N,N-dimethylpyrimidin-2-amine;hydrochloride
CID 120907192

Frequently Asked Questions

What is the IUPAC name of 2-[(4-propan-2-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane;dihydrochloride?
The IUPAC name of 2-[(4-propan-2-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane;dihydrochloride (CID 154891864) is 2-[(4-propan-2-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane;dihydrochloride.
What is the SMILES notation for 2-[(4-propan-2-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane;dihydrochloride?
The canonical SMILES for 2-[(4-propan-2-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane;dihydrochloride is CC(C)c1ccc(CN2CCC3(CCNCC3)C2)cc1.Cl.Cl.
What is the InChIKey of 2-[(4-propan-2-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane;dihydrochloride?
The InChIKey is MBICJMQDZMKTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2.2ClH/c1-15(2)17-5-3-16(4-6-17)13-20-12-9-18(14-20)7-10-19-11-8-18;;/h3-6,15,19H,7-14H2,1-2H3;2*1H.
What are the key properties of 2-[(4-propan-2-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane;dihydrochloride?
2-[(4-propan-2-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane;dihydrochloride has a molecular weight of 345.36 g/mol, XLogP of 4.23, 3 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)methyl]-2,8-diazaspiro[4.5]decane;dihydrochloride is sourced from PubChem (CID 154891864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).