2-methyl-8-(2-methyl-4-phenylpentan-2-yl)-2,8-diazaspiro[4.5]decane

C21H34N2 — CID 91106054

IUPAC2-methyl-8-(2-methyl-4-phenylpentan-2-yl)-2,8-diazaspiro[4.5]decane
SMILESCC(CC(C)(C)N1CCC2(CCN(C)C2)CC1)c1ccccc1
InChIInChI=1S/C21H34N2/c1-18(19-8-6-5-7-9-19)16-20(2,3)23-14-11-21(12-15-23)10-13-22(4)17-21/h5-9,18H,10-17H2,1-4H3
InChIKeyVFWBYYRZFFFBAW-UHFFFAOYSA-N
MW314.52 g/mol
LogP4.38
Rot. Bonds4

About 2-methyl-8-(2-methyl-4-phenylpentan-2-yl)-2,8-diazaspiro[4.5]decane

2-methyl-8-(2-methyl-4-phenylpentan-2-yl)-2,8-diazaspiro[4.5]decane (PubChem CID 91106054) has the molecular formula C21H34N2 and a molecular weight of 314.52 g/mol. Its IUPAC name is 2-methyl-8-(2-methyl-4-phenylpentan-2-yl)-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-methyl-8-(2-methyl-4-phenylpentan-2-yl)-2,8-diazaspiro[4.5]decane
PubChem CID91106054
Molecular FormulaC21H34N2
Molecular Weight314.52 g/mol
Exact Mass314.27
IUPAC Name2-methyl-8-(2-methyl-4-phenylpentan-2-yl)-2,8-diazaspiro[4.5]decane
SMILESCC(CC(C)(C)N1CCC2(CCN(C)C2)CC1)c1ccccc1
InChIInChI=1S/C21H34N2/c1-18(19-8-6-5-7-9-19)16-20(2,3)23-14-11-21(12-15-23)10-13-22(4)17-21/h5-9,18H,10-17H2,1-4H3
InChIKeyVFWBYYRZFFFBAW-UHFFFAOYSA-N
XLogP4.38
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.52
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-methyl-2-(2-methyl-1-phenylpropan-2-yl)-2,8-diazaspiro[4.5]decane
CID 91164772
8-methyl-2-(2-phenylpropan-2-yl)-2,8-diazaspiro[4.5]decane
CID 91443964
2-anilino-2-methyl-1-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)propan-1-one
CID 50953250
5-[(1R)-1-phenylethyl]-5-azaspiro[2.4]heptane
CID 142625115
2-benzyl-7-methyl-2,7-diazaspiro[4.4]nonane
CID 2868838
(4S)-2-methyl-4-phenylpentan-2-ol
CID 129361688
2-[3-oxo-9-(3-phenylbutyl)-2,9-diazaspiro[5.5]undecan-2-yl]acetic acid
CID 70712410
(4R)-2,2-dimethyl-4-phenylpentan-1-ol
CID 135189920
2,2-dimethyl-4-(3-phenylbutyl)-1,4-thiazinane 1,1-dioxide
CID 86806711
9-benzyl-3-(1-fluoro-2-methylpropan-2-yl)-3,9-diazaspiro[5.5]undecane
CID 170703028
ethane;2-methyl-8-propan-2-yl-2,8-diazaspiro[4.5]decane
CID 177025738
2-methyl-2-azaspiro[4.4]nonane
CID 59284550

Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-(2-methyl-4-phenylpentan-2-yl)-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-methyl-8-(2-methyl-4-phenylpentan-2-yl)-2,8-diazaspiro[4.5]decane (CID 91106054) is 2-methyl-8-(2-methyl-4-phenylpentan-2-yl)-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-methyl-8-(2-methyl-4-phenylpentan-2-yl)-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-methyl-8-(2-methyl-4-phenylpentan-2-yl)-2,8-diazaspiro[4.5]decane is CC(CC(C)(C)N1CCC2(CCN(C)C2)CC1)c1ccccc1.
What is the InChIKey of 2-methyl-8-(2-methyl-4-phenylpentan-2-yl)-2,8-diazaspiro[4.5]decane?
The InChIKey is VFWBYYRZFFFBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2/c1-18(19-8-6-5-7-9-19)16-20(2,3)23-14-11-21(12-15-23)10-13-22(4)17-21/h5-9,18H,10-17H2,1-4H3.
What are the key properties of 2-methyl-8-(2-methyl-4-phenylpentan-2-yl)-2,8-diazaspiro[4.5]decane?
2-methyl-8-(2-methyl-4-phenylpentan-2-yl)-2,8-diazaspiro[4.5]decane has a molecular weight of 314.52 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-(2-methyl-4-phenylpentan-2-yl)-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 91106054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).