1-(3,7-dimethyl-5-propan-2-yl-1,5-diazocan-1-yl)ethanone

C13H26N2O — CID 10513456

IUPAC1-(3,7-dimethyl-5-propan-2-yl-1,5-diazocan-1-yl)ethanone
SMILESCC(=O)N1CC(C)CN(C(C)C)CC(C)C1
InChIInChI=1S/C13H26N2O/c1-10(2)14-6-11(3)8-15(13(5)16)9-12(4)7-14/h10-12H,6-9H2,1-5H3
InChIKeySFYQAFQYDJPWPW-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.83
Rot. Bonds1

About 1-(3,7-dimethyl-5-propan-2-yl-1,5-diazocan-1-yl)ethanone

1-(3,7-dimethyl-5-propan-2-yl-1,5-diazocan-1-yl)ethanone (PubChem CID 10513456) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-(3,7-dimethyl-5-propan-2-yl-1,5-diazocan-1-yl)ethanone.

Molecular Properties

Compound Name1-(3,7-dimethyl-5-propan-2-yl-1,5-diazocan-1-yl)ethanone
PubChem CID10513456
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-(3,7-dimethyl-5-propan-2-yl-1,5-diazocan-1-yl)ethanone
SMILESCC(=O)N1CC(C)CN(C(C)C)CC(C)C1
InChIInChI=1S/C13H26N2O/c1-10(2)14-6-11(3)8-15(13(5)16)9-12(4)7-14/h10-12H,6-9H2,1-5H3
InChIKeySFYQAFQYDJPWPW-UHFFFAOYSA-N
XLogP1.83
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3,7-dimethyl-5-propan-2-yl-1,5-diazocan-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3,7-dimethyl-5-propan-2-yl-1,5-diazocan-1-yl)ethanone?
The IUPAC name of 1-(3,7-dimethyl-5-propan-2-yl-1,5-diazocan-1-yl)ethanone (CID 10513456) is 1-(3,7-dimethyl-5-propan-2-yl-1,5-diazocan-1-yl)ethanone.
What is the SMILES notation for 1-(3,7-dimethyl-5-propan-2-yl-1,5-diazocan-1-yl)ethanone?
The canonical SMILES for 1-(3,7-dimethyl-5-propan-2-yl-1,5-diazocan-1-yl)ethanone is CC(=O)N1CC(C)CN(C(C)C)CC(C)C1.
What is the InChIKey of 1-(3,7-dimethyl-5-propan-2-yl-1,5-diazocan-1-yl)ethanone?
The InChIKey is SFYQAFQYDJPWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-10(2)14-6-11(3)8-15(13(5)16)9-12(4)7-14/h10-12H,6-9H2,1-5H3.
What are the key properties of 1-(3,7-dimethyl-5-propan-2-yl-1,5-diazocan-1-yl)ethanone?
1-(3,7-dimethyl-5-propan-2-yl-1,5-diazocan-1-yl)ethanone has a molecular weight of 226.36 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,7-dimethyl-5-propan-2-yl-1,5-diazocan-1-yl)ethanone is sourced from PubChem (CID 10513456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).