2-amino-1-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)-3-methylpentan-1-one

C16H28N2O — CID 119747131

IUPAC2-amino-1-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)-3-methylpentan-1-one
SMILESCCC(C)C(N)C(=O)N1CC2CC3CC(C2)CC1C3
InChIInChI=1S/C16H28N2O/c1-3-10(2)15(17)16(19)18-9-13-5-11-4-12(6-13)8-14(18)7-11/h10-15H,3-9,17H2,1-2H3
InChIKeyBZEBOROVLZAMPP-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.40
Rot. Bonds3

About 2-amino-1-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)-3-methylpentan-1-one

2-amino-1-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)-3-methylpentan-1-one (PubChem CID 119747131) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-amino-1-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)-3-methylpentan-1-one.

Molecular Properties

Compound Name2-amino-1-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)-3-methylpentan-1-one
PubChem CID119747131
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2-amino-1-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)-3-methylpentan-1-one
SMILESCCC(C)C(N)C(=O)N1CC2CC3CC(C2)CC1C3
InChIInChI=1S/C16H28N2O/c1-3-10(2)15(17)16(19)18-9-13-5-11-4-12(6-13)8-14(18)7-11/h10-15H,3-9,17H2,1-2H3
InChIKeyBZEBOROVLZAMPP-UHFFFAOYSA-N
XLogP2.40
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)-3-methylpentan-1-one?
The IUPAC name of 2-amino-1-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)-3-methylpentan-1-one (CID 119747131) is 2-amino-1-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)-3-methylpentan-1-one.
What is the SMILES notation for 2-amino-1-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)-3-methylpentan-1-one?
The canonical SMILES for 2-amino-1-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)-3-methylpentan-1-one is CCC(C)C(N)C(=O)N1CC2CC3CC(C2)CC1C3.
What is the InChIKey of 2-amino-1-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)-3-methylpentan-1-one?
The InChIKey is BZEBOROVLZAMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-3-10(2)15(17)16(19)18-9-13-5-11-4-12(6-13)8-14(18)7-11/h10-15H,3-9,17H2,1-2H3.
What are the key properties of 2-amino-1-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)-3-methylpentan-1-one?
2-amino-1-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)-3-methylpentan-1-one has a molecular weight of 264.41 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)-3-methylpentan-1-one is sourced from PubChem (CID 119747131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).