2-amino-1-(2-tert-butyl-7-azaspiro[3.5]nonan-7-yl)-3-methylbutan-1-one

C17H32N2O — CID 175627364

IUPAC2-amino-1-(2-tert-butyl-7-azaspiro[3.5]nonan-7-yl)-3-methylbutan-1-one
SMILESCC(C)C(N)C(=O)N1CCC2(CC1)CC(C(C)(C)C)C2
InChIInChI=1S/C17H32N2O/c1-12(2)14(18)15(20)19-8-6-17(7-9-19)10-13(11-17)16(3,4)5/h12-14H,6-11,18H2,1-5H3
InChIKeyAKQZHLKSXVWEAT-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.03
Rot. Bonds2

About 2-amino-1-(2-tert-butyl-7-azaspiro[3.5]nonan-7-yl)-3-methylbutan-1-one

2-amino-1-(2-tert-butyl-7-azaspiro[3.5]nonan-7-yl)-3-methylbutan-1-one (PubChem CID 175627364) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 2-amino-1-(2-tert-butyl-7-azaspiro[3.5]nonan-7-yl)-3-methylbutan-1-one.

Molecular Properties

Compound Name2-amino-1-(2-tert-butyl-7-azaspiro[3.5]nonan-7-yl)-3-methylbutan-1-one
PubChem CID175627364
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name2-amino-1-(2-tert-butyl-7-azaspiro[3.5]nonan-7-yl)-3-methylbutan-1-one
SMILESCC(C)C(N)C(=O)N1CCC2(CC1)CC(C(C)(C)C)C2
InChIInChI=1S/C17H32N2O/c1-12(2)14(18)15(20)19-8-6-17(7-9-19)10-13(11-17)16(3,4)5/h12-14H,6-11,18H2,1-5H3
InChIKeyAKQZHLKSXVWEAT-UHFFFAOYSA-N
XLogP3.03
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(8-azaspiro[4.5]decan-8-yl)-3-methylbutan-1-one
CID 63163646
2-amino-1-(4,4-dimethylpiperidin-1-yl)-3-methylbutan-1-one
CID 62930579
1-(2-acetyl-2,8-diazaspiro[4.5]decan-8-yl)-2-amino-3-methylbutan-1-one
CID 71632593
2-amino-1-(6-azaspiro[3.4]octan-6-yl)-3-methylbutan-1-one
CID 119326633
(2S)-2-amino-1-[(5R,8R)-8-amino-2-azaspiro[4.4]nonan-2-yl]-3-methylbutan-1-one
CID 98083841
(2R)-2-amino-1-(1,7-diazaspiro[3.5]nonan-7-yl)-3-methylbutan-1-one
CID 97174792
(2S)-2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-3-methylbutan-1-one
CID 63160186
(2S)-2-amino-3-methyl-1-[(5S,8R)-8-(sulfanylmethyl)-2-azaspiro[4.4]nonan-2-yl]butan-1-one
CID 98083835
4-[(2S)-2-amino-3-methylbutanoyl]piperazine-1-carboxylic acid
CID 141387551
(2R)-2-amino-1-(3-azaspiro[5.5]undecan-3-yl)-3,3-dimethylbutan-1-one
CID 103929863
2-amino-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 119333395
2-amino-3-methyl-1-morpholin-4-ylbutan-1-one
CID 22492154

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-tert-butyl-7-azaspiro[3.5]nonan-7-yl)-3-methylbutan-1-one?
The IUPAC name of 2-amino-1-(2-tert-butyl-7-azaspiro[3.5]nonan-7-yl)-3-methylbutan-1-one (CID 175627364) is 2-amino-1-(2-tert-butyl-7-azaspiro[3.5]nonan-7-yl)-3-methylbutan-1-one.
What is the SMILES notation for 2-amino-1-(2-tert-butyl-7-azaspiro[3.5]nonan-7-yl)-3-methylbutan-1-one?
The canonical SMILES for 2-amino-1-(2-tert-butyl-7-azaspiro[3.5]nonan-7-yl)-3-methylbutan-1-one is CC(C)C(N)C(=O)N1CCC2(CC1)CC(C(C)(C)C)C2.
What is the InChIKey of 2-amino-1-(2-tert-butyl-7-azaspiro[3.5]nonan-7-yl)-3-methylbutan-1-one?
The InChIKey is AKQZHLKSXVWEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-12(2)14(18)15(20)19-8-6-17(7-9-19)10-13(11-17)16(3,4)5/h12-14H,6-11,18H2,1-5H3.
What are the key properties of 2-amino-1-(2-tert-butyl-7-azaspiro[3.5]nonan-7-yl)-3-methylbutan-1-one?
2-amino-1-(2-tert-butyl-7-azaspiro[3.5]nonan-7-yl)-3-methylbutan-1-one has a molecular weight of 280.46 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-tert-butyl-7-azaspiro[3.5]nonan-7-yl)-3-methylbutan-1-one is sourced from PubChem (CID 175627364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).