tert-butyl 2-propan-2-yl-2,9-diazaspiro[5.5]undecane-9-carboxylate;bis(tert-butyl 9-propan-2-yl-2,9-diazaspiro[5.5]undecane-2-carboxylate);tert-butyl 9-propan-2-yl-3,9-diazaspiro[5.5]undecane-3-carboxylate

C68H128N8O8 — CID 160605348

IUPACtert-butyl 2-propan-2-yl-2,9-diazaspiro[5.5]undecane-9-carboxylate;bis(tert-butyl 9-propan-2-yl-2,9-diazaspiro[5.5]undecane-2-carboxylate);tert-butyl 9-propan-2-yl-3,9-diazaspiro[5.5]undecane-3-carboxylate
SMILESCC(C)N1CCC2(CCCN(C(=O)OC(C)(C)C)C2)CC1.CC(C)N1CCC2(CCCN(C(=O)OC(C)(C)C)C2)CC1.CC(C)N1CCC2(CCN(C(=O)OC(C)(C)C)CC2)CC1.CC(C)N1CCCC2(CCN(C(=O)OC(C)(C)C)CC2)C1
InChIInChI=1S/4C17H32N2O2/c1-14(2)18-10-6-17(7-11-18)8-12-19(13-9-17)15(20)21-16(3,4)5;1-14(2)19-10-6-7-17(13-19)8-11-18(12-9-17)15(20)21-16(3,4)5;2*1-14(2)18-11-8-17(9-12-18)7-6-10-19(13-17)15(20)21-16(3,4)5/h4*14H,6-13H2,1-5H3
InChIKeyREUKLATXIZLOMD-UHFFFAOYSA-N
MW1185.82 g/mol
LogP14.03
Rot. Bonds4

About tert-butyl 2-propan-2-yl-2,9-diazaspiro[5.5]undecane-9-carboxylate;bis(tert-butyl 9-propan-2-yl-2,9-diazaspiro[5.5]undecane-2-carboxylate);tert-butyl 9-propan-2-yl-3,9-diazaspiro[5.5]undecane-3-carboxylate

tert-butyl 2-propan-2-yl-2,9-diazaspiro[5.5]undecane-9-carboxylate;bis(tert-butyl 9-propan-2-yl-2,9-diazaspiro[5.5]undecane-2-carboxylate);tert-butyl 9-propan-2-yl-3,9-diazaspiro[5.5]undecane-3-carboxylate (PubChem CID 160605348) has the molecular formula C68H128N8O8 and a molecular weight of 1185.82 g/mol. Its IUPAC name is tert-butyl 2-propan-2-yl-2,9-diazaspiro[5.5]undecane-9-carboxylate;bis(tert-butyl 9-propan-2-yl-2,9-diazaspiro[5.5]undecane-2-carboxylate);tert-butyl 9-propan-2-yl-3,9-diazaspiro[5.5]undecane-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-propan-2-yl-2,9-diazaspiro[5.5]undecane-9-carboxylate;bis(tert-butyl 9-propan-2-yl-2,9-diazaspiro[5.5]undecane-2-carboxylate);tert-butyl 9-propan-2-yl-3,9-diazaspiro[5.5]undecane-3-carboxylate
PubChem CID160605348
Molecular FormulaC68H128N8O8
Molecular Weight1185.82 g/mol
Exact Mass1184.99
IUPAC Nametert-butyl 2-propan-2-yl-2,9-diazaspiro[5.5]undecane-9-carboxylate;bis(tert-butyl 9-propan-2-yl-2,9-diazaspiro[5.5]undecane-2-carboxylate);tert-butyl 9-propan-2-yl-3,9-diazaspiro[5.5]undecane-3-carboxylate
SMILESCC(C)N1CCC2(CCCN(C(=O)OC(C)(C)C)C2)CC1.CC(C)N1CCC2(CCCN(C(=O)OC(C)(C)C)C2)CC1.CC(C)N1CCC2(CCN(C(=O)OC(C)(C)C)CC2)CC1.CC(C)N1CCCC2(CCN(C(=O)OC(C)(C)C)CC2)C1
InChIInChI=1S/4C17H32N2O2/c1-14(2)18-10-6-17(7-11-18)8-12-19(13-9-17)15(20)21-16(3,4)5;1-14(2)19-10-6-7-17(13-19)8-11-18(12-9-17)15(20)21-16(3,4)5;2*1-14(2)18-11-8-17(9-12-18)7-6-10-19(13-17)15(20)21-16(3,4)5/h4*14H,6-13H2,1-5H3
InChIKeyREUKLATXIZLOMD-UHFFFAOYSA-N
XLogP14.03
TPSA131.12 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001185.82
LogP ≤ 514.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze tert-butyl 2-propan-2-yl-2,9-diazaspiro[5.5]undecane-9-carboxylate;bis(tert-butyl 9-propan-2-yl-2,9-diazaspiro[5.5]undecane-2-carboxylate);tert-butyl 9-propan-2-yl-3,9-diazaspiro[5.5]undecane-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

Tert-butyl 4-propan-2-ylpiperidine-1-carboxylate;2,2-dimethylpropyl 4-propan-2-ylpiperidine-1-carboxylate;ethyl 4-propan-2-ylpiperidine-1-carboxylate;methane;methyl 4-propan-2-ylpiperidine-1-carboxylate;propan-2-yl 4-propan-2-ylpiperidine-1-carboxylate
CID 157689442
Tert-butyl 2-propan-2-yl-2,9-diazaspiro[5.5]undecane-9-carboxylate;tert-butyl 9-propan-2-yl-2,9-diazaspiro[5.5]undecane-2-carboxylate
CID 157759874
Tert-butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate;tert-butyl 9-methyl-3,9-diazaspiro[5.5]undecane-3-carboxylate;3-methyl-3,9-diazaspiro[5.5]undecane
CID 158113129
Tert-butyl 2-methylpiperidine-1-carboxylate;tert-butyl 3-methylpiperidine-1-carboxylate;tert-butyl 4-methylpiperidine-1-carboxylate;1,2-dimethylpiperidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;methane;2-methylpiperidine;4-methylpiperidine
CID 158214541
Tert-butyl 4-methylpiperidine-1-carboxylate;1,2-dimethylpiperidine;bis(1,3-dimethylpiperidine);1,4-dimethylpiperidine;ethyl 4-methylpiperidine-1-carboxylate;methane;methylcyclohexane;1-(2-methylpiperidin-1-yl)ethanone;1-(3-methylpiperidin-1-yl)ethanone
CID 158453796
Tert-butyl 2,2-dimethyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 2,4-di(propan-2-yl)piperazine-1-carboxylate;tert-butyl 2-methyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperidine
CID 158953587
Tert-butyl 2,2-dimethyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 2,4-di(propan-2-yl)piperazine-1-carboxylate;1-tert-butyl-4-methylpiperazine;tert-butyl 2-methyl-4-propan-2-ylpiperazine-1-carboxylate;1-tert-butyl-4-propan-2-ylpiperazine;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-ethyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperidine
CID 158962299
3,9-Dimethyl-1,5-dioxa-3,9-diazaspiro[5.5]undecane-2,4-dione;bis(3,9-dimethyl-1,7-dioxa-3,9-diazaspiro[5.5]undecane-2,8-dione);bis(3,9-dimethyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one)
CID 159060818
Tert-butyl 4-tert-butyl-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl 2,2-dimethyl-4-propan-2-ylpiperazine-1-carboxylate;1-tert-butyl-4-methylpiperazine;1-tert-butyl-3-methylpiperidine;tert-butyl 2-methyl-4-propan-2-ylpiperazine-1-carboxylate;1-tert-butyl-4-propan-2-ylpiperazine;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate
CID 159100361
Tert-butyl 4-propan-2-ylpiperidine-1-carboxylate;2,2-dimethylpropyl 4-propan-2-ylpiperidine-1-carboxylate;ethyl 4-propan-2-ylpiperidine-1-carboxylate;methyl 4-propan-2-ylpiperidine-1-carboxylate;propan-2-yl 4-propan-2-ylpiperidine-1-carboxylate
CID 159143684
Tert-butyl 2-ethylpiperidine-1-carboxylate;tert-butyl 3-ethylpiperidine-1-carboxylate;tert-butyl 2-propan-2-ylpiperidine-1-carboxylate;tert-butyl 3-propan-2-ylpiperidine-1-carboxylate;tert-butyl 2-propylpiperidine-1-carboxylate;tert-butyl 3-propylpiperidine-1-carboxylate;2-ethyl-1-methylpiperidine;3-ethyl-1-methylpiperidine;2-ethylpiperidine;3-ethylpiperidine;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-2-propylpiperidine;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;2-propylpiperidine;3-propylpiperidine
CID 159517276
Tert-butyl 4-tert-butyl-2-methylpiperazine-1-carboxylate;tert-butyl 2,2-dimethyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 2,4-di(propan-2-yl)piperazine-1-carboxylate;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-propan-2-ylpiperazine;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-ethyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperidine
CID 159624853

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-propan-2-yl-2,9-diazaspiro[5.5]undecane-9-carboxylate;bis(tert-butyl 9-propan-2-yl-2,9-diazaspiro[5.5]undecane-2-carboxylate);tert-butyl 9-propan-2-yl-3,9-diazaspiro[5.5]undecane-3-carboxylate?
The IUPAC name of tert-butyl 2-propan-2-yl-2,9-diazaspiro[5.5]undecane-9-carboxylate;bis(tert-butyl 9-propan-2-yl-2,9-diazaspiro[5.5]undecane-2-carboxylate);tert-butyl 9-propan-2-yl-3,9-diazaspiro[5.5]undecane-3-carboxylate (CID 160605348) is tert-butyl 2-propan-2-yl-2,9-diazaspiro[5.5]undecane-9-carboxylate;bis(tert-butyl 9-propan-2-yl-2,9-diazaspiro[5.5]undecane-2-carboxylate);tert-butyl 9-propan-2-yl-3,9-diazaspiro[5.5]undecane-3-carboxylate.
What is the SMILES notation for tert-butyl 2-propan-2-yl-2,9-diazaspiro[5.5]undecane-9-carboxylate;bis(tert-butyl 9-propan-2-yl-2,9-diazaspiro[5.5]undecane-2-carboxylate);tert-butyl 9-propan-2-yl-3,9-diazaspiro[5.5]undecane-3-carboxylate?
The canonical SMILES for tert-butyl 2-propan-2-yl-2,9-diazaspiro[5.5]undecane-9-carboxylate;bis(tert-butyl 9-propan-2-yl-2,9-diazaspiro[5.5]undecane-2-carboxylate);tert-butyl 9-propan-2-yl-3,9-diazaspiro[5.5]undecane-3-carboxylate is CC(C)N1CCC2(CCCN(C(=O)OC(C)(C)C)C2)CC1.CC(C)N1CCC2(CCCN(C(=O)OC(C)(C)C)C2)CC1.CC(C)N1CCC2(CCN(C(=O)OC(C)(C)C)CC2)CC1.CC(C)N1CCCC2(CCN(C(=O)OC(C)(C)C)CC2)C1.
What is the InChIKey of tert-butyl 2-propan-2-yl-2,9-diazaspiro[5.5]undecane-9-carboxylate;bis(tert-butyl 9-propan-2-yl-2,9-diazaspiro[5.5]undecane-2-carboxylate);tert-butyl 9-propan-2-yl-3,9-diazaspiro[5.5]undecane-3-carboxylate?
The InChIKey is REUKLATXIZLOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/4C17H32N2O2/c1-14(2)18-10-6-17(7-11-18)8-12-19(13-9-17)15(20)21-16(3,4)5;1-14(2)19-10-6-7-17(13-19)8-11-18(12-9-17)15(20)21-16(3,4)5;2*1-14(2)18-11-8-17(9-12-18)7-6-10-19(13-17)15(20)21-16(3,4)5/h4*14H,6-13H2,1-5H3.
What are the key properties of tert-butyl 2-propan-2-yl-2,9-diazaspiro[5.5]undecane-9-carboxylate;bis(tert-butyl 9-propan-2-yl-2,9-diazaspiro[5.5]undecane-2-carboxylate);tert-butyl 9-propan-2-yl-3,9-diazaspiro[5.5]undecane-3-carboxylate?
tert-butyl 2-propan-2-yl-2,9-diazaspiro[5.5]undecane-9-carboxylate;bis(tert-butyl 9-propan-2-yl-2,9-diazaspiro[5.5]undecane-2-carboxylate);tert-butyl 9-propan-2-yl-3,9-diazaspiro[5.5]undecane-3-carboxylate has a molecular weight of 1185.82 g/mol, XLogP of 14.03, 4 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-propan-2-yl-2,9-diazaspiro[5.5]undecane-9-carboxylate;bis(tert-butyl 9-propan-2-yl-2,9-diazaspiro[5.5]undecane-2-carboxylate);tert-butyl 9-propan-2-yl-3,9-diazaspiro[5.5]undecane-3-carboxylate is sourced from PubChem (CID 160605348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).