1-[2-(4-methylpentan-2-ylamino)ethyl]-1,3-diazinan-2-one

C12H25N3O — CID 20684946

IUPAC1-[2-(4-methylpentan-2-ylamino)ethyl]-1,3-diazinan-2-one
SMILESCC(C)CC(C)NCCN1CCCNC1=O
InChIInChI=1S/C12H25N3O/c1-10(2)9-11(3)13-6-8-15-7-4-5-14-12(15)16/h10-11,13H,4-9H2,1-3H3,(H,14,16)
InChIKeyPLTZGTYJSBFCEP-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.43
Rot. Bonds6

About 1-[2-(4-methylpentan-2-ylamino)ethyl]-1,3-diazinan-2-one

1-[2-(4-methylpentan-2-ylamino)ethyl]-1,3-diazinan-2-one (PubChem CID 20684946) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-[2-(4-methylpentan-2-ylamino)ethyl]-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-[2-(4-methylpentan-2-ylamino)ethyl]-1,3-diazinan-2-one
PubChem CID20684946
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name1-[2-(4-methylpentan-2-ylamino)ethyl]-1,3-diazinan-2-one
SMILESCC(C)CC(C)NCCN1CCCNC1=O
InChIInChI=1S/C12H25N3O/c1-10(2)9-11(3)13-6-8-15-7-4-5-14-12(15)16/h10-11,13H,4-9H2,1-3H3,(H,14,16)
InChIKeyPLTZGTYJSBFCEP-UHFFFAOYSA-N
XLogP1.43
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylpentan-2-ylamino)ethyl]-1,3-diazinan-2-one?
The IUPAC name of 1-[2-(4-methylpentan-2-ylamino)ethyl]-1,3-diazinan-2-one (CID 20684946) is 1-[2-(4-methylpentan-2-ylamino)ethyl]-1,3-diazinan-2-one.
What is the SMILES notation for 1-[2-(4-methylpentan-2-ylamino)ethyl]-1,3-diazinan-2-one?
The canonical SMILES for 1-[2-(4-methylpentan-2-ylamino)ethyl]-1,3-diazinan-2-one is CC(C)CC(C)NCCN1CCCNC1=O.
What is the InChIKey of 1-[2-(4-methylpentan-2-ylamino)ethyl]-1,3-diazinan-2-one?
The InChIKey is PLTZGTYJSBFCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-10(2)9-11(3)13-6-8-15-7-4-5-14-12(15)16/h10-11,13H,4-9H2,1-3H3,(H,14,16).
What are the key properties of 1-[2-(4-methylpentan-2-ylamino)ethyl]-1,3-diazinan-2-one?
1-[2-(4-methylpentan-2-ylamino)ethyl]-1,3-diazinan-2-one has a molecular weight of 227.35 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylpentan-2-ylamino)ethyl]-1,3-diazinan-2-one is sourced from PubChem (CID 20684946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).