(2R)-2-amino-1-(3-azaspiro[5.5]undecan-3-yl)-3,3-dimethylbutan-1-one

C16H30N2O — CID 103929863

IUPAC(2R)-2-amino-1-(3-azaspiro[5.5]undecan-3-yl)-3,3-dimethylbutan-1-one
SMILESCC(C)(C)[C@@H](N)C(=O)N1CCC2(CCCCC2)CC1
InChIInChI=1S/C16H30N2O/c1-15(2,3)13(17)14(19)18-11-9-16(10-12-18)7-5-4-6-8-16/h13H,4-12,17H2,1-3H3/t13-/m0/s1
InChIKeyPQZGCDQMRZXVMO-ZDUSSCGKSA-N
MW266.43 g/mol
LogP2.93
Rot. Bonds1

About (2R)-2-amino-1-(3-azaspiro[5.5]undecan-3-yl)-3,3-dimethylbutan-1-one

(2R)-2-amino-1-(3-azaspiro[5.5]undecan-3-yl)-3,3-dimethylbutan-1-one (PubChem CID 103929863) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is (2R)-2-amino-1-(3-azaspiro[5.5]undecan-3-yl)-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-(3-azaspiro[5.5]undecan-3-yl)-3,3-dimethylbutan-1-one
PubChem CID103929863
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name(2R)-2-amino-1-(3-azaspiro[5.5]undecan-3-yl)-3,3-dimethylbutan-1-one
SMILESCC(C)(C)[C@@H](N)C(=O)N1CCC2(CCCCC2)CC1
InChIInChI=1S/C16H30N2O/c1-15(2,3)13(17)14(19)18-11-9-16(10-12-18)7-5-4-6-8-16/h13H,4-12,17H2,1-3H3/t13-/m0/s1
InChIKeyPQZGCDQMRZXVMO-ZDUSSCGKSA-N
XLogP2.93
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-2-amino-1-(3-azaspiro[5.5]undecan-3-yl)-3,3-dimethylbutan-1-one with MolForge

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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-(3-azaspiro[5.5]undecan-3-yl)-3-methylpentan-1-one
CID 62931087
3-(3-azaspiro[5.5]undecan-3-yl)-2-methyl-3-oxopropanoic acid
CID 114898383
(2R)-2-amino-3,3-dimethyl-1-(4-piperidin-1-ylpiperidin-1-yl)butan-1-one
CID 103929400
1-(7-azaspiro[3.5]nonan-7-yl)-2-methylpropan-1-one
CID 130721457
(2S)-2-amino-1-(3-azaspiro[5.5]undecan-3-yl)-4-methylsulfanylbutan-1-one;hydrochloride
CID 119315111
(2S)-2-amino-1-(8-azaspiro[4.5]decan-8-yl)hexan-1-one
CID 95023526
(2S)-2-amino-3,3-dimethyl-1-(4-methylpiperidin-1-yl)butan-1-one;hydrochloride
CID 119675086
(2R)-2-amino-1-(2-azaspiro[4.4]nonan-2-yl)propan-1-one
CID 130163238
4-(2-amino-3,3-dimethylbutanoyl)-N,N-dimethylpiperazine-1-carboxamide
CID 76894523
(2S)-2-amino-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-3,3-dimethylbutan-1-one;hydrochloride
CID 119800798
2-amino-3,3-dimethyl-1-(4-methylazepan-1-yl)butan-1-one
CID 77002418

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-(3-azaspiro[5.5]undecan-3-yl)-3,3-dimethylbutan-1-one?
The IUPAC name of (2R)-2-amino-1-(3-azaspiro[5.5]undecan-3-yl)-3,3-dimethylbutan-1-one (CID 103929863) is (2R)-2-amino-1-(3-azaspiro[5.5]undecan-3-yl)-3,3-dimethylbutan-1-one.
What is the SMILES notation for (2R)-2-amino-1-(3-azaspiro[5.5]undecan-3-yl)-3,3-dimethylbutan-1-one?
The canonical SMILES for (2R)-2-amino-1-(3-azaspiro[5.5]undecan-3-yl)-3,3-dimethylbutan-1-one is CC(C)(C)[C@@H](N)C(=O)N1CCC2(CCCCC2)CC1.
What is the InChIKey of (2R)-2-amino-1-(3-azaspiro[5.5]undecan-3-yl)-3,3-dimethylbutan-1-one?
The InChIKey is PQZGCDQMRZXVMO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H30N2O/c1-15(2,3)13(17)14(19)18-11-9-16(10-12-18)7-5-4-6-8-16/h13H,4-12,17H2,1-3H3/t13-/m0/s1.
What are the key properties of (2R)-2-amino-1-(3-azaspiro[5.5]undecan-3-yl)-3,3-dimethylbutan-1-one?
(2R)-2-amino-1-(3-azaspiro[5.5]undecan-3-yl)-3,3-dimethylbutan-1-one has a molecular weight of 266.43 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-(3-azaspiro[5.5]undecan-3-yl)-3,3-dimethylbutan-1-one is sourced from PubChem (CID 103929863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).