azetidin-3-yl-(4,5,5,7,7-pentamethyl-1,4-diazocan-1-yl)methanone

C15H29N3O — CID 91273926

IUPACazetidin-3-yl-(4,5,5,7,7-pentamethyl-1,4-diazocan-1-yl)methanone
SMILESCN1CCN(C(=O)C2CNC2)CC(C)(C)CC1(C)C
InChIInChI=1S/C15H29N3O/c1-14(2)10-15(3,4)17(5)6-7-18(11-14)13(19)12-8-16-9-12/h12,16H,6-11H2,1-5H3
InChIKeyPYHQZKOMHMBUGB-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.17
Rot. Bonds1

About azetidin-3-yl-(4,5,5,7,7-pentamethyl-1,4-diazocan-1-yl)methanone

azetidin-3-yl-(4,5,5,7,7-pentamethyl-1,4-diazocan-1-yl)methanone (PubChem CID 91273926) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is azetidin-3-yl-(4,5,5,7,7-pentamethyl-1,4-diazocan-1-yl)methanone.

Molecular Properties

Compound Nameazetidin-3-yl-(4,5,5,7,7-pentamethyl-1,4-diazocan-1-yl)methanone
PubChem CID91273926
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Nameazetidin-3-yl-(4,5,5,7,7-pentamethyl-1,4-diazocan-1-yl)methanone
SMILESCN1CCN(C(=O)C2CNC2)CC(C)(C)CC1(C)C
InChIInChI=1S/C15H29N3O/c1-14(2)10-15(3,4)17(5)6-7-18(11-14)13(19)12-8-16-9-12/h12,16H,6-11H2,1-5H3
InChIKeyPYHQZKOMHMBUGB-UHFFFAOYSA-N
XLogP1.17
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of azetidin-3-yl-(4,5,5,7,7-pentamethyl-1,4-diazocan-1-yl)methanone?
The IUPAC name of azetidin-3-yl-(4,5,5,7,7-pentamethyl-1,4-diazocan-1-yl)methanone (CID 91273926) is azetidin-3-yl-(4,5,5,7,7-pentamethyl-1,4-diazocan-1-yl)methanone.
What is the SMILES notation for azetidin-3-yl-(4,5,5,7,7-pentamethyl-1,4-diazocan-1-yl)methanone?
The canonical SMILES for azetidin-3-yl-(4,5,5,7,7-pentamethyl-1,4-diazocan-1-yl)methanone is CN1CCN(C(=O)C2CNC2)CC(C)(C)CC1(C)C.
What is the InChIKey of azetidin-3-yl-(4,5,5,7,7-pentamethyl-1,4-diazocan-1-yl)methanone?
The InChIKey is PYHQZKOMHMBUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-14(2)10-15(3,4)17(5)6-7-18(11-14)13(19)12-8-16-9-12/h12,16H,6-11H2,1-5H3.
What are the key properties of azetidin-3-yl-(4,5,5,7,7-pentamethyl-1,4-diazocan-1-yl)methanone?
azetidin-3-yl-(4,5,5,7,7-pentamethyl-1,4-diazocan-1-yl)methanone has a molecular weight of 267.42 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-3-yl-(4,5,5,7,7-pentamethyl-1,4-diazocan-1-yl)methanone is sourced from PubChem (CID 91273926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).