2-tert-butyl-2-azaspiro[3.3]heptane;3-tert-butyl-3,9-diazaspiro[5.5]undecane;3-tert-butyl-9-methyl-3,9-diazaspiro[5.5]undecane;methane

C38H77N5 — CID 161306771

IUPAC2-tert-butyl-2-azaspiro[3.3]heptane;3-tert-butyl-3,9-diazaspiro[5.5]undecane;3-tert-butyl-9-methyl-3,9-diazaspiro[5.5]undecane;methane
SMILESC.CC(C)(C)N1CC2(CCC2)C1.CC(C)(C)N1CCC2(CCNCC2)CC1.CN1CCC2(CC1)CCN(C(C)(C)C)CC2
InChIInChI=1S/C14H28N2.C13H26N2.C10H19N.CH4/c1-13(2,3)16-11-7-14(8-12-16)5-9-15(4)10-6-14;1-12(2,3)15-10-6-13(7-11-15)4-8-14-9-5-13;1-9(2,3)11-7-10(8-11)5-4-6-10;/h5-12H2,1-4H3;14H,4-11H2,1-3H3;4-8H2,1-3H3;1H4
InChIKeyVIISWUMRLUIMAV-UHFFFAOYSA-N
MW604.07 g/mol
LogP7.75
Rot. Bonds

About 2-tert-butyl-2-azaspiro[3.3]heptane;3-tert-butyl-3,9-diazaspiro[5.5]undecane;3-tert-butyl-9-methyl-3,9-diazaspiro[5.5]undecane;methane

2-tert-butyl-2-azaspiro[3.3]heptane;3-tert-butyl-3,9-diazaspiro[5.5]undecane;3-tert-butyl-9-methyl-3,9-diazaspiro[5.5]undecane;methane (PubChem CID 161306771) has the molecular formula C38H77N5 and a molecular weight of 604.07 g/mol. Its IUPAC name is 2-tert-butyl-2-azaspiro[3.3]heptane;3-tert-butyl-3,9-diazaspiro[5.5]undecane;3-tert-butyl-9-methyl-3,9-diazaspiro[5.5]undecane;methane.

Molecular Properties

Compound Name2-tert-butyl-2-azaspiro[3.3]heptane;3-tert-butyl-3,9-diazaspiro[5.5]undecane;3-tert-butyl-9-methyl-3,9-diazaspiro[5.5]undecane;methane
PubChem CID161306771
Molecular FormulaC38H77N5
Molecular Weight604.07 g/mol
Exact Mass603.62
IUPAC Name2-tert-butyl-2-azaspiro[3.3]heptane;3-tert-butyl-3,9-diazaspiro[5.5]undecane;3-tert-butyl-9-methyl-3,9-diazaspiro[5.5]undecane;methane
SMILESC.CC(C)(C)N1CC2(CCC2)C1.CC(C)(C)N1CCC2(CCNCC2)CC1.CN1CCC2(CC1)CCN(C(C)(C)C)CC2
InChIInChI=1S/C14H28N2.C13H26N2.C10H19N.CH4/c1-13(2,3)16-11-7-14(8-12-16)5-9-15(4)10-6-14;1-12(2,3)15-10-6-13(7-11-15)4-8-14-9-5-13;1-9(2,3)11-7-10(8-11)5-4-6-10;/h5-12H2,1-4H3;14H,4-11H2,1-3H3;4-8H2,1-3H3;1H4
InChIKeyVIISWUMRLUIMAV-UHFFFAOYSA-N
XLogP7.75
TPSA24.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.07
LogP ≤ 57.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-tert-butyl-2-azaspiro[3.3]heptane;3-tert-butyl-3,9-diazaspiro[5.5]undecane;3-tert-butyl-9-methyl-3,9-diazaspiro[5.5]undecane;methane with MolForge

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Related Compounds

1,7-Dimethyl-1,7-diazaspiro[3.5]nonane;ethane;6-methyl-2,6-diazaspiro[3.5]nonane;7-methyl-2,7-diazaspiro[3.5]nonane
CID 145216907
4-Tert-butyl-1-(piperidin-4-ylmethyl)piperidine;4-tert-butyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;ethane
CID 153565424
Bis(4-tert-butyl-1-(piperidin-4-ylmethyl)piperidine);ethane
CID 153565510
2-Tert-butyl-2-azaspiro[3.3]heptane;3-tert-butyl-3,9-diazaspiro[5.5]undecane;3-tert-butyl-9-methyl-3,9-diazaspiro[5.5]undecane
CID 160064954
1-Tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;1-tert-butylpiperazine;4-tert-butylpiperidine
CID 162156857
Ethane;9-ethyl-2,9-diazaspiro[5.5]undecane;3-propan-2-yl-3,9-diazaspiro[5.5]undecane
CID 165130436
9-Methyl-2,9-diazaspiro[5.5]undecane;3-propan-2-yl-3,9-diazaspiro[5.5]undecane
CID 165130456
2-Tert-butyl-2-azaspiro[3.3]heptane;8-tert-butyl-2,8-diazaspiro[4.5]decane;2-tert-butyl-2,6-diazaspiro[3.3]heptane;2-tert-butyl-2,7-diazaspiro[3.5]nonane;7-tert-butyl-2,7-diazaspiro[3.5]nonane;3-tert-butyl-3,9-diazaspiro[5.5]undecane
CID 167573665
8-Piperidin-4-yl-2-propan-2-yl-2,8-diazaspiro[3.5]nonane;2-propan-2-yl-5-[(1-propan-2-ylpiperidin-4-yl)methyl]-2,5-diazaspiro[3.5]nonane
CID 172273679
Ethane;3-methyl-3,9-diazaspiro[5.5]undecane;9-methyl-2,9-diazaspiro[5.5]undecane
CID 172329340
Ethane;7-methyl-7-azaspiro[3.5]nonane;7-methyl-1,7-diazaspiro[3.5]nonane;1-propan-2-yl-1,8-diazaspiro[4.5]decane
CID 176920985
3,9-Di(propan-2-yl)-3,9-diazaspiro[5.5]undecane;ethane;7-propan-2-yl-1,7-diazaspiro[3.5]nonane
CID 177161267

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-2-azaspiro[3.3]heptane;3-tert-butyl-3,9-diazaspiro[5.5]undecane;3-tert-butyl-9-methyl-3,9-diazaspiro[5.5]undecane;methane?
The IUPAC name of 2-tert-butyl-2-azaspiro[3.3]heptane;3-tert-butyl-3,9-diazaspiro[5.5]undecane;3-tert-butyl-9-methyl-3,9-diazaspiro[5.5]undecane;methane (CID 161306771) is 2-tert-butyl-2-azaspiro[3.3]heptane;3-tert-butyl-3,9-diazaspiro[5.5]undecane;3-tert-butyl-9-methyl-3,9-diazaspiro[5.5]undecane;methane.
What is the SMILES notation for 2-tert-butyl-2-azaspiro[3.3]heptane;3-tert-butyl-3,9-diazaspiro[5.5]undecane;3-tert-butyl-9-methyl-3,9-diazaspiro[5.5]undecane;methane?
The canonical SMILES for 2-tert-butyl-2-azaspiro[3.3]heptane;3-tert-butyl-3,9-diazaspiro[5.5]undecane;3-tert-butyl-9-methyl-3,9-diazaspiro[5.5]undecane;methane is C.CC(C)(C)N1CC2(CCC2)C1.CC(C)(C)N1CCC2(CCNCC2)CC1.CN1CCC2(CC1)CCN(C(C)(C)C)CC2.
What is the InChIKey of 2-tert-butyl-2-azaspiro[3.3]heptane;3-tert-butyl-3,9-diazaspiro[5.5]undecane;3-tert-butyl-9-methyl-3,9-diazaspiro[5.5]undecane;methane?
The InChIKey is VIISWUMRLUIMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2.C13H26N2.C10H19N.CH4/c1-13(2,3)16-11-7-14(8-12-16)5-9-15(4)10-6-14;1-12(2,3)15-10-6-13(7-11-15)4-8-14-9-5-13;1-9(2,3)11-7-10(8-11)5-4-6-10;/h5-12H2,1-4H3;14H,4-11H2,1-3H3;4-8H2,1-3H3;1H4.
What are the key properties of 2-tert-butyl-2-azaspiro[3.3]heptane;3-tert-butyl-3,9-diazaspiro[5.5]undecane;3-tert-butyl-9-methyl-3,9-diazaspiro[5.5]undecane;methane?
2-tert-butyl-2-azaspiro[3.3]heptane;3-tert-butyl-3,9-diazaspiro[5.5]undecane;3-tert-butyl-9-methyl-3,9-diazaspiro[5.5]undecane;methane has a molecular weight of 604.07 g/mol, XLogP of 7.75, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-2-azaspiro[3.3]heptane;3-tert-butyl-3,9-diazaspiro[5.5]undecane;3-tert-butyl-9-methyl-3,9-diazaspiro[5.5]undecane;methane is sourced from PubChem (CID 161306771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).