(2S)-2-amino-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)hexan-1-one

C16H30N2O — CID 103830822

IUPAC(2S)-2-amino-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)hexan-1-one
SMILESCCCC[C@H](N)C(=O)N1CC2(C)CC1CC(C)(C)C2
InChIInChI=1S/C16H30N2O/c1-5-6-7-13(17)14(19)18-11-16(4)9-12(18)8-15(2,3)10-16/h12-13H,5-11,17H2,1-4H3/t12?,13-,16?/m0/s1
InChIKeyJRGASGHUGAOBGX-UYJPIKCFSA-N
MW266.43 g/mol
LogP2.93
Rot. Bonds4

About (2S)-2-amino-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)hexan-1-one

(2S)-2-amino-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)hexan-1-one (PubChem CID 103830822) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is (2S)-2-amino-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)hexan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)hexan-1-one
PubChem CID103830822
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name(2S)-2-amino-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)hexan-1-one
SMILESCCCC[C@H](N)C(=O)N1CC2(C)CC1CC(C)(C)C2
InChIInChI=1S/C16H30N2O/c1-5-6-7-13(17)14(19)18-11-16(4)9-12(18)8-15(2,3)10-16/h12-13H,5-11,17H2,1-4H3/t12?,13-,16?/m0/s1
InChIKeyJRGASGHUGAOBGX-UYJPIKCFSA-N
XLogP2.93
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)hexan-1-one?
The IUPAC name of (2S)-2-amino-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)hexan-1-one (CID 103830822) is (2S)-2-amino-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)hexan-1-one.
What is the SMILES notation for (2S)-2-amino-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)hexan-1-one?
The canonical SMILES for (2S)-2-amino-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)hexan-1-one is CCCC[C@H](N)C(=O)N1CC2(C)CC1CC(C)(C)C2.
What is the InChIKey of (2S)-2-amino-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)hexan-1-one?
The InChIKey is JRGASGHUGAOBGX-UYJPIKCFSA-N. The full InChI is InChI=1S/C16H30N2O/c1-5-6-7-13(17)14(19)18-11-16(4)9-12(18)8-15(2,3)10-16/h12-13H,5-11,17H2,1-4H3/t12?,13-,16?/m0/s1.
What are the key properties of (2S)-2-amino-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)hexan-1-one?
(2S)-2-amino-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)hexan-1-one has a molecular weight of 266.43 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)hexan-1-one is sourced from PubChem (CID 103830822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).