9-[(4-propan-2-ylphenyl)methyl]-6,9-diazaspiro[4.5]decane

C18H28N2 — CID 64832860

IUPAC9-[(4-propan-2-ylphenyl)methyl]-6,9-diazaspiro[4.5]decane
SMILESCC(C)c1ccc(CN2CCNC3(CCCC3)C2)cc1
InChIInChI=1S/C18H28N2/c1-15(2)17-7-5-16(6-8-17)13-20-12-11-19-18(14-20)9-3-4-10-18/h5-8,15,19H,3-4,9-14H2,1-2H3
InChIKeyLRFRJOSXOWHOAE-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.53
Rot. Bonds3

About 9-[(4-propan-2-ylphenyl)methyl]-6,9-diazaspiro[4.5]decane

9-[(4-propan-2-ylphenyl)methyl]-6,9-diazaspiro[4.5]decane (PubChem CID 64832860) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 9-[(4-propan-2-ylphenyl)methyl]-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-[(4-propan-2-ylphenyl)methyl]-6,9-diazaspiro[4.5]decane
PubChem CID64832860
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name9-[(4-propan-2-ylphenyl)methyl]-6,9-diazaspiro[4.5]decane
SMILESCC(C)c1ccc(CN2CCNC3(CCCC3)C2)cc1
InChIInChI=1S/C18H28N2/c1-15(2)17-7-5-16(6-8-17)13-20-12-11-19-18(14-20)9-3-4-10-18/h5-8,15,19H,3-4,9-14H2,1-2H3
InChIKeyLRFRJOSXOWHOAE-UHFFFAOYSA-N
XLogP3.53
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-[(3-chloro-4-fluorophenyl)methyl]-6,9-diazaspiro[4.5]decane
CID 64952975
9-[(6-methyl-3-pyridinyl)methyl]-6,9-diazaspiro[4.5]decane
CID 64952394
(5S)-2-[(4-fluorophenyl)methyl]-2,6-diazaspiro[4.5]decane
CID 97305383
10-[(4-bromophenyl)methyl]-6,10-diazaspiro[4.6]undecane
CID 64869301
4-[(3-methylphenyl)methyl]-1,4-diazaspiro[5.5]undecane
CID 64831883
9-[(3-bromo-4-methoxyphenyl)methyl]-6,9-diazaspiro[4.5]decane
CID 64833468
2-[(4-propan-2-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane;dihydrochloride
CID 154891864
1-[(4-propan-2-ylphenyl)methyl]azetidine
CID 58279197
(5R)-9-benzyl-1,9-diazaspiro[4.5]decane
CID 86332339
4-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane
CID 64833666
10-[(6-methyl-3-pyridinyl)methyl]-6,10-diazaspiro[4.6]undecane
CID 64948996
3-propan-2-yl-1-[(4-propan-2-ylphenyl)methyl]piperazine
CID 64831824

Frequently Asked Questions

What is the IUPAC name of 9-[(4-propan-2-ylphenyl)methyl]-6,9-diazaspiro[4.5]decane?
The IUPAC name of 9-[(4-propan-2-ylphenyl)methyl]-6,9-diazaspiro[4.5]decane (CID 64832860) is 9-[(4-propan-2-ylphenyl)methyl]-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-[(4-propan-2-ylphenyl)methyl]-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-[(4-propan-2-ylphenyl)methyl]-6,9-diazaspiro[4.5]decane is CC(C)c1ccc(CN2CCNC3(CCCC3)C2)cc1.
What is the InChIKey of 9-[(4-propan-2-ylphenyl)methyl]-6,9-diazaspiro[4.5]decane?
The InChIKey is LRFRJOSXOWHOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-15(2)17-7-5-16(6-8-17)13-20-12-11-19-18(14-20)9-3-4-10-18/h5-8,15,19H,3-4,9-14H2,1-2H3.
What are the key properties of 9-[(4-propan-2-ylphenyl)methyl]-6,9-diazaspiro[4.5]decane?
9-[(4-propan-2-ylphenyl)methyl]-6,9-diazaspiro[4.5]decane has a molecular weight of 272.44 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4-propan-2-ylphenyl)methyl]-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 64832860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).