1-[1-(diethylamino)ethyl]-1,3-diazinan-2-one

C10H21N3O — CID 141339734

IUPAC1-[1-(diethylamino)ethyl]-1,3-diazinan-2-one
SMILESCCN(CC)C(C)N1CCCNC1=O
InChIInChI=1S/C10H21N3O/c1-4-12(5-2)9(3)13-8-6-7-11-10(13)14/h9H,4-8H2,1-3H3,(H,11,14)
InChIKeyRMEHUPRNWQWKIT-UHFFFAOYSA-N
MW199.30 g/mol
LogP1.09
Rot. Bonds4

About 1-[1-(diethylamino)ethyl]-1,3-diazinan-2-one

1-[1-(diethylamino)ethyl]-1,3-diazinan-2-one (PubChem CID 141339734) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 1-[1-(diethylamino)ethyl]-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-[1-(diethylamino)ethyl]-1,3-diazinan-2-one
PubChem CID141339734
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name1-[1-(diethylamino)ethyl]-1,3-diazinan-2-one
SMILESCCN(CC)C(C)N1CCCNC1=O
InChIInChI=1S/C10H21N3O/c1-4-12(5-2)9(3)13-8-6-7-11-10(13)14/h9H,4-8H2,1-3H3,(H,11,14)
InChIKeyRMEHUPRNWQWKIT-UHFFFAOYSA-N
XLogP1.09
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(diethylamino)ethyl]-1,3-diazinan-2-one?
The IUPAC name of 1-[1-(diethylamino)ethyl]-1,3-diazinan-2-one (CID 141339734) is 1-[1-(diethylamino)ethyl]-1,3-diazinan-2-one.
What is the SMILES notation for 1-[1-(diethylamino)ethyl]-1,3-diazinan-2-one?
The canonical SMILES for 1-[1-(diethylamino)ethyl]-1,3-diazinan-2-one is CCN(CC)C(C)N1CCCNC1=O.
What is the InChIKey of 1-[1-(diethylamino)ethyl]-1,3-diazinan-2-one?
The InChIKey is RMEHUPRNWQWKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-4-12(5-2)9(3)13-8-6-7-11-10(13)14/h9H,4-8H2,1-3H3,(H,11,14).
What are the key properties of 1-[1-(diethylamino)ethyl]-1,3-diazinan-2-one?
1-[1-(diethylamino)ethyl]-1,3-diazinan-2-one has a molecular weight of 199.30 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(diethylamino)ethyl]-1,3-diazinan-2-one is sourced from PubChem (CID 141339734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).