1-[4-(ethylamino)butyl]-1,3-diazinan-2-one

C10H21N3O — CID 18340113

IUPAC1-[4-(ethylamino)butyl]-1,3-diazinan-2-one
SMILESCCNCCCCN1CCCNC1=O
InChIInChI=1S/C10H21N3O/c1-2-11-6-3-4-8-13-9-5-7-12-10(13)14/h11H,2-9H2,1H3,(H,12,14)
InChIKeyARFSOPBQTAVNLW-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.79
Rot. Bonds6

About 1-[4-(ethylamino)butyl]-1,3-diazinan-2-one

1-[4-(ethylamino)butyl]-1,3-diazinan-2-one (PubChem CID 18340113) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 1-[4-(ethylamino)butyl]-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-[4-(ethylamino)butyl]-1,3-diazinan-2-one
PubChem CID18340113
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name1-[4-(ethylamino)butyl]-1,3-diazinan-2-one
SMILESCCNCCCCN1CCCNC1=O
InChIInChI=1S/C10H21N3O/c1-2-11-6-3-4-8-13-9-5-7-12-10(13)14/h11H,2-9H2,1H3,(H,12,14)
InChIKeyARFSOPBQTAVNLW-UHFFFAOYSA-N
XLogP0.79
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(ethylamino)butyl]-1,3-diazinan-2-one?
The IUPAC name of 1-[4-(ethylamino)butyl]-1,3-diazinan-2-one (CID 18340113) is 1-[4-(ethylamino)butyl]-1,3-diazinan-2-one.
What is the SMILES notation for 1-[4-(ethylamino)butyl]-1,3-diazinan-2-one?
The canonical SMILES for 1-[4-(ethylamino)butyl]-1,3-diazinan-2-one is CCNCCCCN1CCCNC1=O.
What is the InChIKey of 1-[4-(ethylamino)butyl]-1,3-diazinan-2-one?
The InChIKey is ARFSOPBQTAVNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-2-11-6-3-4-8-13-9-5-7-12-10(13)14/h11H,2-9H2,1H3,(H,12,14).
What are the key properties of 1-[4-(ethylamino)butyl]-1,3-diazinan-2-one?
1-[4-(ethylamino)butyl]-1,3-diazinan-2-one has a molecular weight of 199.30 g/mol, XLogP of 0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(ethylamino)butyl]-1,3-diazinan-2-one is sourced from PubChem (CID 18340113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).