1-(4-aminocyclohexyl)-1,3-diazinan-2-one

C10H19N3O — CID 62587357

IUPAC1-(4-aminocyclohexyl)-1,3-diazinan-2-one
SMILESNC1CCC(N2CCCNC2=O)CC1
InChIInChI=1S/C10H19N3O/c11-8-2-4-9(5-3-8)13-7-1-6-12-10(13)14/h8-9H,1-7,11H2,(H,12,14)
InChIKeyIJHUMPSDCBTPJX-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.67
Rot. Bonds1

About 1-(4-aminocyclohexyl)-1,3-diazinan-2-one

1-(4-aminocyclohexyl)-1,3-diazinan-2-one (PubChem CID 62587357) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-(4-aminocyclohexyl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-(4-aminocyclohexyl)-1,3-diazinan-2-one
PubChem CID62587357
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name1-(4-aminocyclohexyl)-1,3-diazinan-2-one
SMILESNC1CCC(N2CCCNC2=O)CC1
InChIInChI=1S/C10H19N3O/c11-8-2-4-9(5-3-8)13-7-1-6-12-10(13)14/h8-9H,1-7,11H2,(H,12,14)
InChIKeyIJHUMPSDCBTPJX-UHFFFAOYSA-N
XLogP0.67
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminocyclohexyl)-1,3-diazinan-2-one?
The IUPAC name of 1-(4-aminocyclohexyl)-1,3-diazinan-2-one (CID 62587357) is 1-(4-aminocyclohexyl)-1,3-diazinan-2-one.
What is the SMILES notation for 1-(4-aminocyclohexyl)-1,3-diazinan-2-one?
The canonical SMILES for 1-(4-aminocyclohexyl)-1,3-diazinan-2-one is NC1CCC(N2CCCNC2=O)CC1.
What is the InChIKey of 1-(4-aminocyclohexyl)-1,3-diazinan-2-one?
The InChIKey is IJHUMPSDCBTPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c11-8-2-4-9(5-3-8)13-7-1-6-12-10(13)14/h8-9H,1-7,11H2,(H,12,14).
What are the key properties of 1-(4-aminocyclohexyl)-1,3-diazinan-2-one?
1-(4-aminocyclohexyl)-1,3-diazinan-2-one has a molecular weight of 197.28 g/mol, XLogP of 0.67, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminocyclohexyl)-1,3-diazinan-2-one is sourced from PubChem (CID 62587357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).