2-tert-butyl-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-methyl-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-methylpiperazine;1-tert-butyl-3-methylpyrrolidine;1-tert-butylpiperidine

C46H96N8 — CID 158204729

IUPAC2-tert-butyl-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-methyl-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-methylpiperazine;1-tert-butyl-3-methylpyrrolidine;1-tert-butylpiperidine
SMILESCC(C)(C)N1CC2(CNC2)C1.CC(C)(C)N1CCCCC1.CC1CCN(C(C)(C)C)C1.CN1CC2(C1)CN(C(C)(C)C)C2.CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C10H20N2.C9H18N2.C9H20N2.2C9H19N/c1-9(2,3)12-7-10(8-12)5-11(4)6-10;1-8(2,3)11-6-9(7-11)4-10-5-9;1-9(2,3)11-7-5-10(4)6-8-11;1-8-5-6-10(7-8)9(2,3)4;1-9(2,3)10-7-5-4-6-8-10/h5-8H2,1-4H3;10H,4-7H2,1-3H3;5-8H2,1-4H3;8H,5-7H2,1-4H3;4-8H2,1-3H3
InChIKeyGBIYINRWDKWFNP-UHFFFAOYSA-N
MW761.33 g/mol
LogP7.15
Rot. Bonds

About 2-tert-butyl-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-methyl-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-methylpiperazine;1-tert-butyl-3-methylpyrrolidine;1-tert-butylpiperidine

2-tert-butyl-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-methyl-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-methylpiperazine;1-tert-butyl-3-methylpyrrolidine;1-tert-butylpiperidine (PubChem CID 158204729) has the molecular formula C46H96N8 and a molecular weight of 761.33 g/mol. Its IUPAC name is 2-tert-butyl-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-methyl-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-methylpiperazine;1-tert-butyl-3-methylpyrrolidine;1-tert-butylpiperidine.

Molecular Properties

Compound Name2-tert-butyl-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-methyl-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-methylpiperazine;1-tert-butyl-3-methylpyrrolidine;1-tert-butylpiperidine
PubChem CID158204729
Molecular FormulaC46H96N8
Molecular Weight761.33 g/mol
Exact Mass760.78
IUPAC Name2-tert-butyl-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-methyl-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-methylpiperazine;1-tert-butyl-3-methylpyrrolidine;1-tert-butylpiperidine
SMILESCC(C)(C)N1CC2(CNC2)C1.CC(C)(C)N1CCCCC1.CC1CCN(C(C)(C)C)C1.CN1CC2(C1)CN(C(C)(C)C)C2.CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C10H20N2.C9H18N2.C9H20N2.2C9H19N/c1-9(2,3)12-7-10(8-12)5-11(4)6-10;1-8(2,3)11-6-9(7-11)4-10-5-9;1-9(2,3)11-7-5-10(4)6-8-11;1-8-5-6-10(7-8)9(2,3)4;1-9(2,3)10-7-5-4-6-8-10/h5-8H2,1-4H3;10H,4-7H2,1-3H3;5-8H2,1-4H3;8H,5-7H2,1-4H3;4-8H2,1-3H3
InChIKeyGBIYINRWDKWFNP-UHFFFAOYSA-N
XLogP7.15
TPSA34.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500761.33
LogP ≤ 57.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-tert-butyl-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-methyl-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-methylpiperazine;1-tert-butyl-3-methylpyrrolidine;1-tert-butylpiperidine with MolForge

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Related Compounds

2-Tert-butyl-6-methyl-2,6-diazaspiro[3.3]heptane;6-tert-butyl-1-methyl-1,6-diazaspiro[3.3]heptane;2-tert-butyl-7-methyl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-8-methyl-2,8-diazaspiro[3.5]nonane;2-tert-butyl-7-methyl-2,7-diazaspiro[3.4]octane;methane
CID 160757846
(3-methylazetidin-3-yl)methanamine;N-methylmethanamine;6-methyl-2-(piperidin-4-ylmethyl)-2,6-diazaspiro[3.3]heptane;1-propylpiperazine
CID 162741530
1-Piperidin-4-yl-1,6-diazaspiro[3.3]heptane;8-propyl-2,8-diazaspiro[4.5]decane
CID 162741868
ethane;1-ethylpiperazine;N-methylethanamine;2-(piperidin-4-ylmethyl)-2,6-diazaspiro[3.3]heptane
CID 162741885
1-ethylpiperazine;N-methylethanamine;6-methyl-2-(piperidin-4-ylmethyl)-2,6-diazaspiro[3.3]heptane
CID 162742199
(3-methylazetidin-3-yl)methanamine;N-methylmethanamine;6-methyl-2-(piperidin-4-ylmethyl)-2,6-diazaspiro[3.3]heptane;1-methyl-4-propylpiperazine
CID 162742219
N-tert-butyl-N',N'-dimethylbutane-1,4-diamine;N-tert-butyl-N',N'-dimethylethane-1,2-diamine;N-tert-butyl-N',N'-dimethylpropane-1,3-diamine;N,N-dibutyl-4,4-dimethylpentan-1-amine;N,N-diethyl-4,4-dimethylpentan-1-amine;4,4-dimethyl-N,N-di(propan-2-yl)pentan-1-amine;4,4-dimethyl-N,N-dipropylpentan-1-amine;1-(5,5-dimethylhexyl)azetidine;1-(5,5-dimethylhexyl)piperidine;1-(4,4-dimethylpentyl)azetidine;1-(4,4-dimethylpentyl)pyrrolidine;2-methyl-N-(2-piperidin-1-ylethyl)propan-2-amine;2-methyl-N-(3-pyrrolidin-1-ylpropyl)propan-2-amine
CID 167627502
7-[2-(Azetidin-3-yl)-9-(2,7-diazaspiro[3.4]octan-2-yl)-2,5,6,9-tetramethyl-6-piperazin-1-yldecan-5-yl]-2,7-diazaspiro[3.5]nonane
CID 170363968

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-methyl-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-methylpiperazine;1-tert-butyl-3-methylpyrrolidine;1-tert-butylpiperidine?
The IUPAC name of 2-tert-butyl-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-methyl-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-methylpiperazine;1-tert-butyl-3-methylpyrrolidine;1-tert-butylpiperidine (CID 158204729) is 2-tert-butyl-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-methyl-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-methylpiperazine;1-tert-butyl-3-methylpyrrolidine;1-tert-butylpiperidine.
What is the SMILES notation for 2-tert-butyl-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-methyl-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-methylpiperazine;1-tert-butyl-3-methylpyrrolidine;1-tert-butylpiperidine?
The canonical SMILES for 2-tert-butyl-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-methyl-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-methylpiperazine;1-tert-butyl-3-methylpyrrolidine;1-tert-butylpiperidine is CC(C)(C)N1CC2(CNC2)C1.CC(C)(C)N1CCCCC1.CC1CCN(C(C)(C)C)C1.CN1CC2(C1)CN(C(C)(C)C)C2.CN1CCN(C(C)(C)C)CC1.
What is the InChIKey of 2-tert-butyl-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-methyl-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-methylpiperazine;1-tert-butyl-3-methylpyrrolidine;1-tert-butylpiperidine?
The InChIKey is GBIYINRWDKWFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2.C9H18N2.C9H20N2.2C9H19N/c1-9(2,3)12-7-10(8-12)5-11(4)6-10;1-8(2,3)11-6-9(7-11)4-10-5-9;1-9(2,3)11-7-5-10(4)6-8-11;1-8-5-6-10(7-8)9(2,3)4;1-9(2,3)10-7-5-4-6-8-10/h5-8H2,1-4H3;10H,4-7H2,1-3H3;5-8H2,1-4H3;8H,5-7H2,1-4H3;4-8H2,1-3H3.
What are the key properties of 2-tert-butyl-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-methyl-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-methylpiperazine;1-tert-butyl-3-methylpyrrolidine;1-tert-butylpiperidine?
2-tert-butyl-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-methyl-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-methylpiperazine;1-tert-butyl-3-methylpyrrolidine;1-tert-butylpiperidine has a molecular weight of 761.33 g/mol, XLogP of 7.15, 0 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-methyl-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-methylpiperazine;1-tert-butyl-3-methylpyrrolidine;1-tert-butylpiperidine is sourced from PubChem (CID 158204729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).