2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;3-methyl-2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane

C29H58N4 — CID 156709747

IUPAC2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;3-methyl-2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane
SMILESCC(C)N1CCC2(CC1)CC(C)N(C(C)C)C2.CC(C)N1CCC2(CC1)CCN(C(C)C)C2
InChIInChI=1S/C15H30N2.C14H28N2/c1-12(2)16-8-6-15(7-9-16)10-14(5)17(11-15)13(3)4;1-12(2)15-8-5-14(6-9-15)7-10-16(11-14)13(3)4/h12-14H,6-11H2,1-5H3;12-13H,5-11H2,1-4H3
InChIKeyCYCVDWNKNYRAHO-UHFFFAOYSA-N
MW462.81 g/mol
LogP5.57
Rot. Bonds4

About 2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;3-methyl-2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane

2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;3-methyl-2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane (PubChem CID 156709747) has the molecular formula C29H58N4 and a molecular weight of 462.81 g/mol. Its IUPAC name is 2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;3-methyl-2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;3-methyl-2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane
PubChem CID156709747
Molecular FormulaC29H58N4
Molecular Weight462.81 g/mol
Exact Mass462.47
IUPAC Name2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;3-methyl-2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane
SMILESCC(C)N1CCC2(CC1)CC(C)N(C(C)C)C2.CC(C)N1CCC2(CC1)CCN(C(C)C)C2
InChIInChI=1S/C15H30N2.C14H28N2/c1-12(2)16-8-6-15(7-9-16)10-14(5)17(11-15)13(3)4;1-12(2)15-8-5-14(6-9-15)7-10-16(11-14)13(3)4/h12-14H,6-11H2,1-5H3;12-13H,5-11H2,1-4H3
InChIKeyCYCVDWNKNYRAHO-UHFFFAOYSA-N
XLogP5.57
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.81
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;3-methyl-2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane with MolForge

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Related Compounds

2-methyl-8-[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl]-2,8-diazaspiro[4.5]decane
CID 171359115
8-[(2,3-Diethyl-2,3-dimethyl-5-azoniaspiro[4.5]decan-8-yl)methyl]-2,3-diethyl-2,3-dimethyl-5-azoniaspiro[4.5]decane
CID 59110829
3-Methyl-8-(9-methyl-5-azoniaspiro[4.5]decan-8-yl)-5-azoniaspiro[4.5]decane
CID 123412003
4,4-Dimethyl-1-[1-[1-[2-(1-propan-2-ylpiperidin-4-yl)propan-2-yl]pyrrolidin-3-yl]propan-2-yl]piperidine
CID 129168163
4-(2,2-Dimethylpropyl)-1-propan-2-yl-1-azoniabicyclo[2.2.1]heptane
CID 131972509
8-[5-(1,8-Diazaspiro[4.5]decan-8-yl)-2,5-dimethylhexan-2-yl]-2,8-diazaspiro[4.5]decane
CID 134228092
8-[2-(9-Ethyl-2,9-diazaspiro[4.5]decan-2-yl)propyl]-9-methyl-2-propan-2-yl-2,9-diazaspiro[4.5]decane
CID 134510565
(1R,4R)-2-tert-butyl-5-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane
CID 135165025
(1S,4S)-2-tert-butyl-5-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane
CID 135165031
1,9-Di(propan-2-yl)-2-[2-(2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl)propan-2-yl]-1,9-diazaspiro[4.5]decane
CID 139299186
Ethane;2-methyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecane
CID 154672647
(1R,4R)-2-propan-2-yl-5-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-2,5-diazabicyclo[2.2.1]heptane
CID 155184387

Frequently Asked Questions

What is the IUPAC name of 2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;3-methyl-2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;3-methyl-2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane (CID 156709747) is 2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;3-methyl-2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;3-methyl-2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;3-methyl-2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane is CC(C)N1CCC2(CC1)CC(C)N(C(C)C)C2.CC(C)N1CCC2(CC1)CCN(C(C)C)C2.
What is the InChIKey of 2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;3-methyl-2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane?
The InChIKey is CYCVDWNKNYRAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2.C14H28N2/c1-12(2)16-8-6-15(7-9-16)10-14(5)17(11-15)13(3)4;1-12(2)15-8-5-14(6-9-15)7-10-16(11-14)13(3)4/h12-14H,6-11H2,1-5H3;12-13H,5-11H2,1-4H3.
What are the key properties of 2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;3-methyl-2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane?
2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;3-methyl-2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane has a molecular weight of 462.81 g/mol, XLogP of 5.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;3-methyl-2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 156709747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).