2-[(4-methyloxan-4-yl)methyl]-2,8-diazaspiro[4.5]decane;dihydrochloride

C15H30Cl2N2O — CID 154905756

IUPAC2-[(4-methyloxan-4-yl)methyl]-2,8-diazaspiro[4.5]decane;dihydrochloride
SMILESCC1(CN2CCC3(CCNCC3)C2)CCOCC1.Cl.Cl
InChIInChI=1S/C15H28N2O.2ClH/c1-14(5-10-18-11-6-14)12-17-9-4-15(13-17)2-7-16-8-3-15;;/h16H,2-13H2,1H3;2*1H
InChIKeyPNFSUIPJFSYWOL-UHFFFAOYSA-N
MW325.32 g/mol
LogP2.72
Rot. Bonds2

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

2-[(4-methyloxan-4-yl)methyl]-2,8-diazaspiro[4.5]decane;dihydrochloride (PubChem CID 154905756) has the molecular formula C15H30Cl2N2O and a molecular weight of 325.32 g/mol. Its IUPAC name is 2-[(4-methyloxan-4-yl)methyl]-2,8-diazaspiro[4.5]decane;dihydrochloride.

Molecular Properties

Compound Name2-[(4-methyloxan-4-yl)methyl]-2,8-diazaspiro[4.5]decane;dihydrochloride
PubChem CID154905756
Molecular FormulaC15H30Cl2N2O
Molecular Weight325.32 g/mol
Exact Mass324.17
IUPAC Name2-[(4-methyloxan-4-yl)methyl]-2,8-diazaspiro[4.5]decane;dihydrochloride
SMILESCC1(CN2CCC3(CCNCC3)C2)CCOCC1.Cl.Cl
InChIInChI=1S/C15H28N2O.2ClH/c1-14(5-10-18-11-6-14)12-17-9-4-15(13-17)2-7-16-8-3-15;;/h16H,2-13H2,1H3;2*1H
InChIKeyPNFSUIPJFSYWOL-UHFFFAOYSA-N
XLogP2.72
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-methylpyrrolidin-3-yl)methyl]-8-oxa-2-azaspiro[4.5]decane;hydrochloride
CID 120904661
2-[(1-methylcyclobutyl)methyl]-2,8-diazaspiro[4.5]decane
CID 120906458
4,4-dimethyl-1-[(4-methylpiperidin-4-yl)methyl]piperidine
CID 63123190
4-ethyl-4-methyl-1-[(4-methylpiperidin-4-yl)methyl]piperidine
CID 55159111
2-(3-methylbutyl)-2,8-diazaspiro[4.5]decane
CID 82470794
2-(3,3,3-trifluoropropyl)-2,8-diazaspiro[4.5]decane;dihydrochloride
CID 154885864
4,4-dimethyl-1-[(4-methylpiperidin-4-yl)methyl]azepane
CID 65282639
1-[(4-methyloxan-4-yl)methyl]piperidin-4-ol
CID 104585530
2-[(1-ethylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906680
2-(oxan-4-yl)-2,8-diazaspiro[4.5]decane
CID 169161347
1-[(3-methylpyrrolidin-3-yl)methyl]-4-(oxan-4-yl)piperazine;hydrochloride
CID 120900887
[4-[(4-methyloxan-4-yl)methyl]morpholin-2-yl]methanol
CID 104585572

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyloxan-4-yl)methyl]-2,8-diazaspiro[4.5]decane;dihydrochloride?
The IUPAC name of 2-[(4-methyloxan-4-yl)methyl]-2,8-diazaspiro[4.5]decane;dihydrochloride (CID 154905756) is 2-[(4-methyloxan-4-yl)methyl]-2,8-diazaspiro[4.5]decane;dihydrochloride.
What is the SMILES notation for 2-[(4-methyloxan-4-yl)methyl]-2,8-diazaspiro[4.5]decane;dihydrochloride?
The canonical SMILES for 2-[(4-methyloxan-4-yl)methyl]-2,8-diazaspiro[4.5]decane;dihydrochloride is CC1(CN2CCC3(CCNCC3)C2)CCOCC1.Cl.Cl.
What is the InChIKey of 2-[(4-methyloxan-4-yl)methyl]-2,8-diazaspiro[4.5]decane;dihydrochloride?
The InChIKey is PNFSUIPJFSYWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O.2ClH/c1-14(5-10-18-11-6-14)12-17-9-4-15(13-17)2-7-16-8-3-15;;/h16H,2-13H2,1H3;2*1H.
What are the key properties of 2-[(4-methyloxan-4-yl)methyl]-2,8-diazaspiro[4.5]decane;dihydrochloride?
2-[(4-methyloxan-4-yl)methyl]-2,8-diazaspiro[4.5]decane;dihydrochloride has a molecular weight of 325.32 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyloxan-4-yl)methyl]-2,8-diazaspiro[4.5]decane;dihydrochloride is sourced from PubChem (CID 154905756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).