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

C40H82N6 — CID 160683542

IUPAC2,9-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
SMILESC.CC(C)N1CCC2(CCCN(C)C2)C1.CC(C)N1CCCC2(CCN(C(C)C)C2)C1.CCN1CCCC2(CCN(C(C)C)C2)C1
InChIInChI=1S/C14H28N2.C13H26N2.C12H24N2.CH4/c1-12(2)15-8-5-6-14(10-15)7-9-16(11-14)13(3)4;1-4-14-8-5-6-13(10-14)7-9-15(11-13)12(2)3;1-11(2)14-8-6-12(10-14)5-4-7-13(3)9-12;/h12-13H,5-11H2,1-4H3;12H,4-11H2,1-3H3;11H,4-10H2,1-3H3;1H4
InChIKeyROLQHZXGDVAIDN-UHFFFAOYSA-N
MW647.14 g/mol
LogP7.24
Rot. Bonds5

About 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

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 (PubChem CID 160683542) has the molecular formula C40H82N6 and a molecular weight of 647.14 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,9-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
PubChem CID160683542
Molecular FormulaC40H82N6
Molecular Weight647.14 g/mol
Exact Mass646.66
IUPAC Name2,9-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
SMILESC.CC(C)N1CCC2(CCCN(C)C2)C1.CC(C)N1CCCC2(CCN(C(C)C)C2)C1.CCN1CCCC2(CCN(C(C)C)C2)C1
InChIInChI=1S/C14H28N2.C13H26N2.C12H24N2.CH4/c1-12(2)15-8-5-6-14(10-15)7-9-16(11-14)13(3)4;1-4-14-8-5-6-13(10-14)7-9-15(11-13)12(2)3;1-11(2)14-8-6-12(10-14)5-4-7-13(3)9-12;/h12-13H,5-11H2,1-4H3;12H,4-11H2,1-3H3;11H,4-10H2,1-3H3;1H4
InChIKeyROLQHZXGDVAIDN-UHFFFAOYSA-N
XLogP7.24
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500647.14
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

(3R)-2-ethyl-8-[5-[(3S)-8-ethyl-3-methyl-2,8-diazaspiro[4.5]decan-2-yl]pentan-2-yl]-3-methyl-2,8-diazaspiro[4.5]decane
CID 156191330
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
N,3-dimethyl-N-propan-2-ylbutan-1-amine;1,3-di(propan-2-yl)piperidine;1,4-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 157247493
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
bis(N,3-dimethyl-N-propan-2-ylbutan-1-amine);1,3-di(propan-2-yl)piperidine;1,4-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 158122348
(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
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
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
1,2-Dimethylpiperidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;methane
CID 158680282
2,8-Dimethyl-2,8-diazaspiro[4.5]decane;2,9-dimethyl-2,9-diazaspiro[4.5]decane;2,7-dimethyl-2,7-diazaspiro[4.4]nonane;3,9-dimethyl-3,9-diazaspiro[5.5]undecane
CID 158787682

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.CC(C)N1CCC2(CCCN(C)C2)C1.CC(C)N1CCCC2(CCN(C(C)C)C2)C1.CCN1CCCC2(CCN(C(C)C)C2)C1.
What is the InChIKey of 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?
The InChIKey is ROLQHZXGDVAIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2.C13H26N2.C12H24N2.CH4/c1-12(2)15-8-5-6-14(10-15)7-9-16(11-14)13(3)4;1-4-14-8-5-6-13(10-14)7-9-15(11-13)12(2)3;1-11(2)14-8-6-12(10-14)5-4-7-13(3)9-12;/h12-13H,5-11H2,1-4H3;12H,4-11H2,1-3H3;11H,4-10H2,1-3H3;1H4.
What are the key properties of 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?
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 has a molecular weight of 647.14 g/mol, XLogP of 7.24, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160683542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).