tert-butyl 8-(butan-2-ylamino)-5-azaspiro[3.5]nonane-5-carboxylate

C17H32N2O2 — CID 107239216

IUPACtert-butyl 8-(butan-2-ylamino)-5-azaspiro[3.5]nonane-5-carboxylate
SMILESCCC(C)NC1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1
InChIInChI=1S/C17H32N2O2/c1-6-13(2)18-14-8-11-19(15(20)21-16(3,4)5)17(12-14)9-7-10-17/h13-14,18H,6-12H2,1-5H3
InChIKeyFHYDRMNWTNKOOQ-UHFFFAOYSA-N
MW296.46 g/mol
LogP3.70
Rot. Bonds3

About tert-butyl 8-(butan-2-ylamino)-5-azaspiro[3.5]nonane-5-carboxylate

tert-butyl 8-(butan-2-ylamino)-5-azaspiro[3.5]nonane-5-carboxylate (PubChem CID 107239216) has the molecular formula C17H32N2O2 and a molecular weight of 296.46 g/mol. Its IUPAC name is tert-butyl 8-(butan-2-ylamino)-5-azaspiro[3.5]nonane-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 8-(butan-2-ylamino)-5-azaspiro[3.5]nonane-5-carboxylate
PubChem CID107239216
Molecular FormulaC17H32N2O2
Molecular Weight296.46 g/mol
Exact Mass296.25
IUPAC Nametert-butyl 8-(butan-2-ylamino)-5-azaspiro[3.5]nonane-5-carboxylate
SMILESCCC(C)NC1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1
InChIInChI=1S/C17H32N2O2/c1-6-13(2)18-14-8-11-19(15(20)21-16(3,4)5)17(12-14)9-7-10-17/h13-14,18H,6-12H2,1-5H3
InChIKeyFHYDRMNWTNKOOQ-UHFFFAOYSA-N
XLogP3.70
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 8-(4-methylpentan-2-ylamino)-5-azaspiro[3.5]nonane-5-carboxylate
CID 107239266
tert-butyl 8-(1H-pyrrol-3-ylmethylamino)-5-azaspiro[3.5]nonane-5-carboxylate
CID 107239232
tert-butyl (7S)-7-amino-4-azaspiro[2.5]octane-4-carboxylate
CID 171991625
tert-butyl 6-(aminomethyl)-1-azaspiro[3.5]nonane-1-carboxylate
CID 155892408
tert-butyl 4-(pentan-2-ylamino)azepane-1-carboxylate
CID 103980373
tert-butyl 9-hydroxy-1-azaspiro[5.5]undecane-1-carboxylate
CID 155895162
4-[(2-methylpropan-2-yl)oxycarbonyl]-4-azaspiro[2.5]octane-7-carboxylate
CID 170992407
tert-butyl 4-(4-hydroxybutan-2-ylamino)piperidine-1-carboxylate
CID 79692176
5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[3.4]octane-2-carboxylic acid
CID 56962184
tert-butyl 6-amino-1-azaspiro[3.4]octane-1-carboxylate
CID 138112241
tert-butyl 3-(1-aminopropan-2-ylamino)pyrrolidine-1-carboxylate
CID 107239410
tert-butyl 4-(3-ethylpentan-2-ylamino)azepane-1-carboxylate
CID 103982165

Frequently Asked Questions

What is the IUPAC name of tert-butyl 8-(butan-2-ylamino)-5-azaspiro[3.5]nonane-5-carboxylate?
The IUPAC name of tert-butyl 8-(butan-2-ylamino)-5-azaspiro[3.5]nonane-5-carboxylate (CID 107239216) is tert-butyl 8-(butan-2-ylamino)-5-azaspiro[3.5]nonane-5-carboxylate.
What is the SMILES notation for tert-butyl 8-(butan-2-ylamino)-5-azaspiro[3.5]nonane-5-carboxylate?
The canonical SMILES for tert-butyl 8-(butan-2-ylamino)-5-azaspiro[3.5]nonane-5-carboxylate is CCC(C)NC1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1.
What is the InChIKey of tert-butyl 8-(butan-2-ylamino)-5-azaspiro[3.5]nonane-5-carboxylate?
The InChIKey is FHYDRMNWTNKOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-6-13(2)18-14-8-11-19(15(20)21-16(3,4)5)17(12-14)9-7-10-17/h13-14,18H,6-12H2,1-5H3.
What are the key properties of tert-butyl 8-(butan-2-ylamino)-5-azaspiro[3.5]nonane-5-carboxylate?
tert-butyl 8-(butan-2-ylamino)-5-azaspiro[3.5]nonane-5-carboxylate has a molecular weight of 296.46 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 8-(butan-2-ylamino)-5-azaspiro[3.5]nonane-5-carboxylate is sourced from PubChem (CID 107239216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).