1-(2-amino-2-methylpropyl)-2-propan-2-yldiazinan-3-one

C11H23N3O — CID 105467128

IUPAC1-(2-amino-2-methylpropyl)-2-propan-2-yldiazinan-3-one
SMILESCC(C)N1C(=O)CCCN1CC(C)(C)N
InChIInChI=1S/C11H23N3O/c1-9(2)14-10(15)6-5-7-13(14)8-11(3,4)12/h9H,5-8,12H2,1-4H3
InChIKeyYUYIUBCJJPUKAA-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.97
Rot. Bonds3

About 1-(2-amino-2-methylpropyl)-2-propan-2-yldiazinan-3-one

1-(2-amino-2-methylpropyl)-2-propan-2-yldiazinan-3-one (PubChem CID 105467128) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-(2-amino-2-methylpropyl)-2-propan-2-yldiazinan-3-one.

Molecular Properties

Compound Name1-(2-amino-2-methylpropyl)-2-propan-2-yldiazinan-3-one
PubChem CID105467128
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name1-(2-amino-2-methylpropyl)-2-propan-2-yldiazinan-3-one
SMILESCC(C)N1C(=O)CCCN1CC(C)(C)N
InChIInChI=1S/C11H23N3O/c1-9(2)14-10(15)6-5-7-13(14)8-11(3,4)12/h9H,5-8,12H2,1-4H3
InChIKeyYUYIUBCJJPUKAA-UHFFFAOYSA-N
XLogP0.97
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-methylpropyl)-2-propan-2-yldiazinan-3-one?
The IUPAC name of 1-(2-amino-2-methylpropyl)-2-propan-2-yldiazinan-3-one (CID 105467128) is 1-(2-amino-2-methylpropyl)-2-propan-2-yldiazinan-3-one.
What is the SMILES notation for 1-(2-amino-2-methylpropyl)-2-propan-2-yldiazinan-3-one?
The canonical SMILES for 1-(2-amino-2-methylpropyl)-2-propan-2-yldiazinan-3-one is CC(C)N1C(=O)CCCN1CC(C)(C)N.
What is the InChIKey of 1-(2-amino-2-methylpropyl)-2-propan-2-yldiazinan-3-one?
The InChIKey is YUYIUBCJJPUKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-9(2)14-10(15)6-5-7-13(14)8-11(3,4)12/h9H,5-8,12H2,1-4H3.
What are the key properties of 1-(2-amino-2-methylpropyl)-2-propan-2-yldiazinan-3-one?
1-(2-amino-2-methylpropyl)-2-propan-2-yldiazinan-3-one has a molecular weight of 213.32 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-methylpropyl)-2-propan-2-yldiazinan-3-one is sourced from PubChem (CID 105467128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).