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

C9H19N3O — CID 18340111

IUPAC1-[3-(ethylamino)propyl]-1,3-diazinan-2-one
SMILESCCNCCCN1CCCNC1=O
InChIInChI=1S/C9H19N3O/c1-2-10-5-3-7-12-8-4-6-11-9(12)13/h10H,2-8H2,1H3,(H,11,13)
InChIKeyHDDMRRHFQBTSTO-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.40
Rot. Bonds5

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

1-[3-(ethylamino)propyl]-1,3-diazinan-2-one (PubChem CID 18340111) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-[3-(ethylamino)propyl]-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-[3-(ethylamino)propyl]-1,3-diazinan-2-one
PubChem CID18340111
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name1-[3-(ethylamino)propyl]-1,3-diazinan-2-one
SMILESCCNCCCN1CCCNC1=O
InChIInChI=1S/C9H19N3O/c1-2-10-5-3-7-12-8-4-6-11-9(12)13/h10H,2-8H2,1H3,(H,11,13)
InChIKeyHDDMRRHFQBTSTO-UHFFFAOYSA-N
XLogP0.40
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.40
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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Related Compounds

2(1H)-Pyrimidinone, tetrahydro-
CID 74615
N,N'-Diethylpropyleneurea
CID 99136
1,3-Bis[3-(dimethylamino)propyl]urea
CID 104163
3-(3,6-Dimethyl-2-oxohexahydropyrimidin-4-yl)-1,1-dimethylurea
CID 535921
N,N'-Dipropylpropyleneurea
CID 99137
N,N-Dibutyl-N'-methylurea
CID 210426
Urea, 1,1-dibutyl-3-ethyl-
CID 3040358
n-Ethyl-4-methylpiperazine-1-carboxamide
CID 116045
1-Methyltetrahydropyrimidin-2(1H)-one
CID 12867748
Urea, 1,1-dipropyl-3-methyl-
CID 215877
N,N-Diethylpiperazine-1-carboxamide
CID 67067
1-Ethyl-1,3-diazinan-2-one
CID 21479220

Frequently Asked Questions

What is the IUPAC name of 1-[3-(ethylamino)propyl]-1,3-diazinan-2-one?
The IUPAC name of 1-[3-(ethylamino)propyl]-1,3-diazinan-2-one (CID 18340111) is 1-[3-(ethylamino)propyl]-1,3-diazinan-2-one.
What is the SMILES notation for 1-[3-(ethylamino)propyl]-1,3-diazinan-2-one?
The canonical SMILES for 1-[3-(ethylamino)propyl]-1,3-diazinan-2-one is CCNCCCN1CCCNC1=O.
What is the InChIKey of 1-[3-(ethylamino)propyl]-1,3-diazinan-2-one?
The InChIKey is HDDMRRHFQBTSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-2-10-5-3-7-12-8-4-6-11-9(12)13/h10H,2-8H2,1H3,(H,11,13).
What are the key properties of 1-[3-(ethylamino)propyl]-1,3-diazinan-2-one?
1-[3-(ethylamino)propyl]-1,3-diazinan-2-one has a molecular weight of 185.27 g/mol, XLogP of 0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(ethylamino)propyl]-1,3-diazinan-2-one is sourced from PubChem (CID 18340111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).