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

C42H84N6 — CID 158650622

IUPAC2-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
SMILESCC(C)N1CCCC2(CCN(C(C)(C)C)C2)C1.CCN1CCCC2(CCN(C(C)(C)C)C2)C1.CN1CCCC2(CCN(C(C)(C)C)C2)C1
InChIInChI=1S/C15H30N2.C14H28N2.C13H26N2/c1-13(2)16-9-6-7-15(11-16)8-10-17(12-15)14(3,4)5;1-5-15-9-6-7-14(11-15)8-10-16(12-14)13(2,3)4;1-12(2,3)15-9-7-13(11-15)6-5-8-14(4)10-13/h13H,6-12H2,1-5H3;5-12H2,1-4H3;5-11H2,1-4H3
InChIKeyIBMVUAIDDJMGDU-UHFFFAOYSA-N
MW673.18 g/mol
LogP7.78
Rot. Bonds2

About 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

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 (PubChem CID 158650622) has the molecular formula C42H84N6 and a molecular weight of 673.18 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID158650622
Molecular FormulaC42H84N6
Molecular Weight673.18 g/mol
Exact Mass672.68
IUPAC Name2-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
SMILESCC(C)N1CCCC2(CCN(C(C)(C)C)C2)C1.CCN1CCCC2(CCN(C(C)(C)C)C2)C1.CN1CCCC2(CCN(C(C)(C)C)C2)C1
InChIInChI=1S/C15H30N2.C14H28N2.C13H26N2/c1-13(2)16-9-6-7-15(11-16)8-10-17(12-15)14(3,4)5;1-5-15-9-6-7-14(11-15)8-10-16(12-14)13(2,3)4;1-12(2,3)15-9-7-13(11-15)6-5-8-14(4)10-13/h13H,6-12H2,1-5H3;5-12H2,1-4H3;5-11H2,1-4H3
InChIKeyIBMVUAIDDJMGDU-UHFFFAOYSA-N
XLogP7.78
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.18
LogP ≤ 57.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

7-[8-[5-(1,8-Diazaspiro[4.5]decan-8-yl)-2,5-dimethylhexan-2-yl]-2,8-diazaspiro[4.5]decan-6-yl]-2-propan-2-yl-2,8-diazaspiro[4.5]decane
CID 137508378
2,5-Bis(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane;1,4-bis(2-methylpropyl)piperazine;bis(1,4-bis(2-methylpropyl)piperidine);1,3-bis(2-methylpropyl)pyrrolidine
CID 157403411
1,2-Dimethylpiperidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;methane
CID 157442108
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
(3aR,7aS)-2-tert-butyl-5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;(3aS,7aR)-2-tert-butyl-5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;(3aR,7aR)-2-tert-butyl-5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;methane
CID 158188909
(1S,4S)-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;3,9-di(propan-2-yl)-3,9-diazaspiro[5.5]undecane
CID 158476887
1,9-Dimethyl-1,9-diazaspiro[4.5]decane;bis(2,8-dimethyl-2,8-diazaspiro[4.5]decane);ethane
CID 158480696
5-Tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;9-tert-butyl-2-(2,2-dimethylpropyl)-2,9-diazaspiro[5.5]undecane;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane
CID 158557752
2-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpiperidine;4-tert-butyl-1-methylpiperidine;2-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1-methylpyrrolidine;(2R)-1,2-dimethylpyrrolidine;(2S)-1,2-dimethylpyrrolidine;ethane
CID 158594450
1,2-Dimethylpiperidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;methane
CID 158680282
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-Dimethylpiperidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;methane
CID 158973700

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)N1CCCC2(CCN(C(C)(C)C)C2)C1.CCN1CCCC2(CCN(C(C)(C)C)C2)C1.CN1CCCC2(CCN(C(C)(C)C)C2)C1.
What is the InChIKey of 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?
The InChIKey is IBMVUAIDDJMGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2.C14H28N2.C13H26N2/c1-13(2)16-9-6-7-15(11-16)8-10-17(12-15)14(3,4)5;1-5-15-9-6-7-14(11-15)8-10-16(12-14)13(2,3)4;1-12(2,3)15-9-7-13(11-15)6-5-8-14(4)10-13/h13H,6-12H2,1-5H3;5-12H2,1-4H3;5-11H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 673.18 g/mol, XLogP of 7.78, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158650622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).