3-[2-aminoethyl(ethyl)amino]azepan-2-one

C10H21N3O — CID 61350282

IUPAC3-[2-aminoethyl(ethyl)amino]azepan-2-one
SMILESCCN(CCN)C1CCCCNC1=O
InChIInChI=1S/C10H21N3O/c1-2-13(8-6-11)9-5-3-4-7-12-10(9)14/h9H,2-8,11H2,1H3,(H,12,14)
InChIKeyLXCBRDOSQSRHMG-UHFFFAOYSA-N
MW199.30 g/mol
LogP-0.06
Rot. Bonds4

About 3-[2-aminoethyl(ethyl)amino]azepan-2-one

3-[2-aminoethyl(ethyl)amino]azepan-2-one (PubChem CID 61350282) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 3-[2-aminoethyl(ethyl)amino]azepan-2-one.

Molecular Properties

Compound Name3-[2-aminoethyl(ethyl)amino]azepan-2-one
PubChem CID61350282
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name3-[2-aminoethyl(ethyl)amino]azepan-2-one
SMILESCCN(CCN)C1CCCCNC1=O
InChIInChI=1S/C10H21N3O/c1-2-13(8-6-11)9-5-3-4-7-12-10(9)14/h9H,2-8,11H2,1H3,(H,12,14)
InChIKeyLXCBRDOSQSRHMG-UHFFFAOYSA-N
XLogP-0.06
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-aminoethyl(ethyl)amino]azepan-2-one?
The IUPAC name of 3-[2-aminoethyl(ethyl)amino]azepan-2-one (CID 61350282) is 3-[2-aminoethyl(ethyl)amino]azepan-2-one.
What is the SMILES notation for 3-[2-aminoethyl(ethyl)amino]azepan-2-one?
The canonical SMILES for 3-[2-aminoethyl(ethyl)amino]azepan-2-one is CCN(CCN)C1CCCCNC1=O.
What is the InChIKey of 3-[2-aminoethyl(ethyl)amino]azepan-2-one?
The InChIKey is LXCBRDOSQSRHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-2-13(8-6-11)9-5-3-4-7-12-10(9)14/h9H,2-8,11H2,1H3,(H,12,14).
What are the key properties of 3-[2-aminoethyl(ethyl)amino]azepan-2-one?
3-[2-aminoethyl(ethyl)amino]azepan-2-one has a molecular weight of 199.30 g/mol, XLogP of -0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-aminoethyl(ethyl)amino]azepan-2-one is sourced from PubChem (CID 61350282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).