2-amino-4-methyl-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)pentan-1-one

C16H30N2O — CID 54873392

IUPAC2-amino-4-methyl-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)pentan-1-one
SMILESCC(C)CC(N)C(=O)N1CC2(C)CC1CC(C)(C)C2
InChIInChI=1S/C16H30N2O/c1-11(2)6-13(17)14(19)18-10-16(5)8-12(18)7-15(3,4)9-16/h11-13H,6-10,17H2,1-5H3
InChIKeyISOBKVJMIMTAQU-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.79
Rot. Bonds3

About 2-amino-4-methyl-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)pentan-1-one

2-amino-4-methyl-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)pentan-1-one (PubChem CID 54873392) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 2-amino-4-methyl-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)pentan-1-one.

Molecular Properties

Compound Name2-amino-4-methyl-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)pentan-1-one
PubChem CID54873392
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name2-amino-4-methyl-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)pentan-1-one
SMILESCC(C)CC(N)C(=O)N1CC2(C)CC1CC(C)(C)C2
InChIInChI=1S/C16H30N2O/c1-11(2)6-13(17)14(19)18-10-16(5)8-12(18)7-15(3,4)9-16/h11-13H,6-10,17H2,1-5H3
InChIKeyISOBKVJMIMTAQU-UHFFFAOYSA-N
XLogP2.79
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-amino-4-methyl-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)pentan-1-one with MolForge

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Related Compounds

(2S)-2-amino-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)hexan-1-one
CID 103830822
(2S)-2-amino-3-methyl-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)butan-1-one;hydrochloride
CID 119261787
2-amino-1-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethanone
CID 7268032
4-methyl-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)pentan-1-one
CID 102552576
1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl chloride
CID 54116057
ethane;1-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethanone
CID 145255334
1-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]butan-1-one
CID 98511634
1,3,3-trimethyl-N-propan-2-yl-6-azabicyclo[3.2.1]octane-6-carbothioamide
CID 43834013
5-hydroxy-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)pentan-1-one
CID 79198764
1-O-[2-oxo-2-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl] 4-O-[2-oxo-2-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl] (E)-but-2-enedioate
CID 25389743
2-[2-oxo-2-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]sulfanylacetic acid
CID 2375158
2-[2-oxo-2-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]sulfanylacetic acid
CID 7673906

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)pentan-1-one?
The IUPAC name of 2-amino-4-methyl-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)pentan-1-one (CID 54873392) is 2-amino-4-methyl-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)pentan-1-one.
What is the SMILES notation for 2-amino-4-methyl-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)pentan-1-one?
The canonical SMILES for 2-amino-4-methyl-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)pentan-1-one is CC(C)CC(N)C(=O)N1CC2(C)CC1CC(C)(C)C2.
What is the InChIKey of 2-amino-4-methyl-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)pentan-1-one?
The InChIKey is ISOBKVJMIMTAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-11(2)6-13(17)14(19)18-10-16(5)8-12(18)7-15(3,4)9-16/h11-13H,6-10,17H2,1-5H3.
What are the key properties of 2-amino-4-methyl-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)pentan-1-one?
2-amino-4-methyl-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)pentan-1-one has a molecular weight of 266.43 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)pentan-1-one is sourced from PubChem (CID 54873392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).