1,3-bis(1-amino-2-methylpropan-2-yl)-1,3-diazinan-2-one

C12H26N4O — CID 67781043

IUPAC1,3-bis(1-amino-2-methylpropan-2-yl)-1,3-diazinan-2-one
SMILESCC(C)(CN)N1CCCN(C(C)(C)CN)C1=O
InChIInChI=1S/C12H26N4O/c1-11(2,8-13)15-6-5-7-16(10(15)17)12(3,4)9-14/h5-9,13-14H2,1-4H3
InChIKeyABBMYGRCBMJMSE-UHFFFAOYSA-N
MW242.37 g/mol
LogP0.59
Rot. Bonds4

About 1,3-bis(1-amino-2-methylpropan-2-yl)-1,3-diazinan-2-one

1,3-bis(1-amino-2-methylpropan-2-yl)-1,3-diazinan-2-one (PubChem CID 67781043) has the molecular formula C12H26N4O and a molecular weight of 242.37 g/mol. Its IUPAC name is 1,3-bis(1-amino-2-methylpropan-2-yl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name1,3-bis(1-amino-2-methylpropan-2-yl)-1,3-diazinan-2-one
PubChem CID67781043
Molecular FormulaC12H26N4O
Molecular Weight242.37 g/mol
Exact Mass242.21
IUPAC Name1,3-bis(1-amino-2-methylpropan-2-yl)-1,3-diazinan-2-one
SMILESCC(C)(CN)N1CCCN(C(C)(C)CN)C1=O
InChIInChI=1S/C12H26N4O/c1-11(2,8-13)15-6-5-7-16(10(15)17)12(3,4)9-14/h5-9,13-14H2,1-4H3
InChIKeyABBMYGRCBMJMSE-UHFFFAOYSA-N
XLogP0.59
TPSA75.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(1-amino-2-methylpropan-2-yl)-1,3-diazinan-2-one?
The IUPAC name of 1,3-bis(1-amino-2-methylpropan-2-yl)-1,3-diazinan-2-one (CID 67781043) is 1,3-bis(1-amino-2-methylpropan-2-yl)-1,3-diazinan-2-one.
What is the SMILES notation for 1,3-bis(1-amino-2-methylpropan-2-yl)-1,3-diazinan-2-one?
The canonical SMILES for 1,3-bis(1-amino-2-methylpropan-2-yl)-1,3-diazinan-2-one is CC(C)(CN)N1CCCN(C(C)(C)CN)C1=O.
What is the InChIKey of 1,3-bis(1-amino-2-methylpropan-2-yl)-1,3-diazinan-2-one?
The InChIKey is ABBMYGRCBMJMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O/c1-11(2,8-13)15-6-5-7-16(10(15)17)12(3,4)9-14/h5-9,13-14H2,1-4H3.
What are the key properties of 1,3-bis(1-amino-2-methylpropan-2-yl)-1,3-diazinan-2-one?
1,3-bis(1-amino-2-methylpropan-2-yl)-1,3-diazinan-2-one has a molecular weight of 242.37 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(1-amino-2-methylpropan-2-yl)-1,3-diazinan-2-one is sourced from PubChem (CID 67781043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).