5-amino-1-(1,4-diazepan-1-yl)hexan-1-one

C11H23N3O — CID 82848388

IUPAC5-amino-1-(1,4-diazepan-1-yl)hexan-1-one
SMILESCC(N)CCCC(=O)N1CCCNCC1
InChIInChI=1S/C11H23N3O/c1-10(12)4-2-5-11(15)14-8-3-6-13-7-9-14/h10,13H,2-9,12H2,1H3
InChIKeyHRCLCEYKTARKFU-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.33
Rot. Bonds4

About 5-amino-1-(1,4-diazepan-1-yl)hexan-1-one

5-amino-1-(1,4-diazepan-1-yl)hexan-1-one (PubChem CID 82848388) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 5-amino-1-(1,4-diazepan-1-yl)hexan-1-one.

Molecular Properties

Compound Name5-amino-1-(1,4-diazepan-1-yl)hexan-1-one
PubChem CID82848388
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name5-amino-1-(1,4-diazepan-1-yl)hexan-1-one
SMILESCC(N)CCCC(=O)N1CCCNCC1
InChIInChI=1S/C11H23N3O/c1-10(12)4-2-5-11(15)14-8-3-6-13-7-9-14/h10,13H,2-9,12H2,1H3
InChIKeyHRCLCEYKTARKFU-UHFFFAOYSA-N
XLogP0.33
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-amino-1-(1,4-diazepan-1-yl)hexan-1-one 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 5-amino-1-(1,4-diazepan-1-yl)hexan-1-one?
The IUPAC name of 5-amino-1-(1,4-diazepan-1-yl)hexan-1-one (CID 82848388) is 5-amino-1-(1,4-diazepan-1-yl)hexan-1-one.
What is the SMILES notation for 5-amino-1-(1,4-diazepan-1-yl)hexan-1-one?
The canonical SMILES for 5-amino-1-(1,4-diazepan-1-yl)hexan-1-one is CC(N)CCCC(=O)N1CCCNCC1.
What is the InChIKey of 5-amino-1-(1,4-diazepan-1-yl)hexan-1-one?
The InChIKey is HRCLCEYKTARKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-10(12)4-2-5-11(15)14-8-3-6-13-7-9-14/h10,13H,2-9,12H2,1H3.
What are the key properties of 5-amino-1-(1,4-diazepan-1-yl)hexan-1-one?
5-amino-1-(1,4-diazepan-1-yl)hexan-1-one has a molecular weight of 213.32 g/mol, XLogP of 0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(1,4-diazepan-1-yl)hexan-1-one is sourced from PubChem (CID 82848388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).