1,9-dimethyl-1,9-diazaspiro[4.5]decane;bis(2,8-dimethyl-2,8-diazaspiro[4.5]decane);ethane

C36H78N6 — CID 158480696

IUPAC1,9-dimethyl-1,9-diazaspiro[4.5]decane;bis(2,8-dimethyl-2,8-diazaspiro[4.5]decane);ethane
SMILESCC.CC.CC.CN1CCC2(CC1)CCN(C)C2.CN1CCC2(CC1)CCN(C)C2.CN1CCCC2(CCCN2C)C1
InChIInChI=1S/3C10H20N2.3C2H6/c2*1-11-6-3-10(4-7-11)5-8-12(2)9-10;1-11-7-3-5-10(9-11)6-4-8-12(10)2;3*1-2/h3*3-9H2,1-2H3;3*1-2H3
InChIKeyHHMGYWSBIVLRQP-UHFFFAOYSA-N
MW595.06 g/mol
LogP6.32
Rot. Bonds

About 1,9-dimethyl-1,9-diazaspiro[4.5]decane;bis(2,8-dimethyl-2,8-diazaspiro[4.5]decane);ethane

1,9-dimethyl-1,9-diazaspiro[4.5]decane;bis(2,8-dimethyl-2,8-diazaspiro[4.5]decane);ethane (PubChem CID 158480696) has the molecular formula C36H78N6 and a molecular weight of 595.06 g/mol. Its IUPAC name is 1,9-dimethyl-1,9-diazaspiro[4.5]decane;bis(2,8-dimethyl-2,8-diazaspiro[4.5]decane);ethane.

Molecular Properties

Compound Name1,9-dimethyl-1,9-diazaspiro[4.5]decane;bis(2,8-dimethyl-2,8-diazaspiro[4.5]decane);ethane
PubChem CID158480696
Molecular FormulaC36H78N6
Molecular Weight595.06 g/mol
Exact Mass594.63
IUPAC Name1,9-dimethyl-1,9-diazaspiro[4.5]decane;bis(2,8-dimethyl-2,8-diazaspiro[4.5]decane);ethane
SMILESCC.CC.CC.CN1CCC2(CC1)CCN(C)C2.CN1CCC2(CC1)CCN(C)C2.CN1CCCC2(CCCN2C)C1
InChIInChI=1S/3C10H20N2.3C2H6/c2*1-11-6-3-10(4-7-11)5-8-12(2)9-10;1-11-7-3-5-10(9-11)6-4-8-12(10)2;3*1-2/h3*3-9H2,1-2H3;3*1-2H3
InChIKeyHHMGYWSBIVLRQP-UHFFFAOYSA-N
XLogP6.32
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.06
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-Methyl-2-[(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)methyl]-1-propan-2-yl-1,8-diazaspiro[4.5]decane
CID 155397714
1-(5,5-Dimethylhexyl)pyrrolidine;2-(4,4-dimethylpentyl)-1-methylpyrrolidine;1-(4,4-dimethylpentyl)piperidine;1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)-1-methylpiperidine;2,2,8,8-tetramethylnonane
CID 157686078
2-tert-butyl-8-methyl-2,8-diazaspiro[4.5]decane;8-tert-butyl-2-methyl-2,8-diazaspiro[4.5]decane;1-(1-tert-butylpiperidin-4-yl)-N,N-dimethylmethanamine
CID 158100509
4-Methyl-4-azaspiro[2.4]heptane;5-methyl-5-azaspiro[2.4]heptane;4-methyl-4-azaspiro[2.5]octane;5-methyl-5-azaspiro[2.5]octane;6-methyl-6-azaspiro[2.5]octane
CID 158585795
2-Tert-butyl-9-ethyl-2,9-diazaspiro[4.5]decane;2-tert-butyl-9-methyl-2,9-diazaspiro[4.5]decane;2-tert-butyl-9-propan-2-yl-2,9-diazaspiro[4.5]decane
CID 158650622
2-Tert-butyl-9-ethyl-2,9-diazaspiro[4.5]decane;2-tert-butyl-9-methyl-2,9-diazaspiro[4.5]decane;2-tert-butyl-9-propan-2-yl-2,9-diazaspiro[4.5]decane;methane
CID 158900420
1,2-Ditert-butylpiperidine;1,3-ditert-butylpiperidine;1,4-ditert-butylpiperidine;1,2-ditert-butylpyrrolidine;1,3-ditert-butylpyrrolidine
CID 159835138
2,9-Di(propan-2-yl)-2,9-diazaspiro[4.5]decane;9-ethyl-2-propan-2-yl-2,9-diazaspiro[4.5]decane;9-methyl-2-propan-2-yl-2,9-diazaspiro[4.5]decane
CID 160040499
N,N-dimethylpropan-2-amine;bis(1-methyl-2-propan-2-ylpyrrolidine);3-propan-2-yl-1-azabicyclo[2.2.2]octane;1-propan-2-ylpyrrolidine
CID 160436147
2,9-Di(propan-2-yl)-2,9-diazaspiro[4.5]decane;9-ethyl-2-propan-2-yl-2,9-diazaspiro[4.5]decane;methane;9-methyl-2-propan-2-yl-2,9-diazaspiro[4.5]decane
CID 160683542
1,3-di(propan-2-yl)piperidine;(3R)-1,3-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;(3S)-1,3-di(propan-2-yl)pyrrolidine;(3R)-1,3-di(propan-2-yl)pyrrolidine
CID 161244900
Bis(1-methyl-2-propan-2-ylpyrrolidine);3-propan-2-yl-1-azabicyclo[2.2.2]octane;1-propan-2-ylpyrrolidine
CID 161515284

Frequently Asked Questions

What is the IUPAC name of 1,9-dimethyl-1,9-diazaspiro[4.5]decane;bis(2,8-dimethyl-2,8-diazaspiro[4.5]decane);ethane?
The IUPAC name of 1,9-dimethyl-1,9-diazaspiro[4.5]decane;bis(2,8-dimethyl-2,8-diazaspiro[4.5]decane);ethane (CID 158480696) is 1,9-dimethyl-1,9-diazaspiro[4.5]decane;bis(2,8-dimethyl-2,8-diazaspiro[4.5]decane);ethane.
What is the SMILES notation for 1,9-dimethyl-1,9-diazaspiro[4.5]decane;bis(2,8-dimethyl-2,8-diazaspiro[4.5]decane);ethane?
The canonical SMILES for 1,9-dimethyl-1,9-diazaspiro[4.5]decane;bis(2,8-dimethyl-2,8-diazaspiro[4.5]decane);ethane is CC.CC.CC.CN1CCC2(CC1)CCN(C)C2.CN1CCC2(CC1)CCN(C)C2.CN1CCCC2(CCCN2C)C1.
What is the InChIKey of 1,9-dimethyl-1,9-diazaspiro[4.5]decane;bis(2,8-dimethyl-2,8-diazaspiro[4.5]decane);ethane?
The InChIKey is HHMGYWSBIVLRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/3C10H20N2.3C2H6/c2*1-11-6-3-10(4-7-11)5-8-12(2)9-10;1-11-7-3-5-10(9-11)6-4-8-12(10)2;3*1-2/h3*3-9H2,1-2H3;3*1-2H3.
What are the key properties of 1,9-dimethyl-1,9-diazaspiro[4.5]decane;bis(2,8-dimethyl-2,8-diazaspiro[4.5]decane);ethane?
1,9-dimethyl-1,9-diazaspiro[4.5]decane;bis(2,8-dimethyl-2,8-diazaspiro[4.5]decane);ethane has a molecular weight of 595.06 g/mol, XLogP of 6.32, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-dimethyl-1,9-diazaspiro[4.5]decane;bis(2,8-dimethyl-2,8-diazaspiro[4.5]decane);ethane is sourced from PubChem (CID 158480696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).