[2-amino-1,3-di(propan-2-yl)-1,3-diazinan-5-yl]methanol

C11H25N3O — CID 141074035

IUPAC[2-amino-1,3-di(propan-2-yl)-1,3-diazinan-5-yl]methanol
SMILESCC(C)N1CC(CO)CN(C(C)C)C1N
InChIInChI=1S/C11H25N3O/c1-8(2)13-5-10(7-15)6-14(9(3)4)11(13)12/h8-11,15H,5-7,12H2,1-4H3
InChIKeyLTZAEGXQKOKFGN-UHFFFAOYSA-N
MW215.34 g/mol
LogP0.27
Rot. Bonds3

About [2-amino-1,3-di(propan-2-yl)-1,3-diazinan-5-yl]methanol

[2-amino-1,3-di(propan-2-yl)-1,3-diazinan-5-yl]methanol (PubChem CID 141074035) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is [2-amino-1,3-di(propan-2-yl)-1,3-diazinan-5-yl]methanol.

Molecular Properties

Compound Name[2-amino-1,3-di(propan-2-yl)-1,3-diazinan-5-yl]methanol
PubChem CID141074035
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC Name[2-amino-1,3-di(propan-2-yl)-1,3-diazinan-5-yl]methanol
SMILESCC(C)N1CC(CO)CN(C(C)C)C1N
InChIInChI=1S/C11H25N3O/c1-8(2)13-5-10(7-15)6-14(9(3)4)11(13)12/h8-11,15H,5-7,12H2,1-4H3
InChIKeyLTZAEGXQKOKFGN-UHFFFAOYSA-N
XLogP0.27
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-amino-1,3-di(propan-2-yl)-1,3-diazinan-5-yl]methanol?
The IUPAC name of [2-amino-1,3-di(propan-2-yl)-1,3-diazinan-5-yl]methanol (CID 141074035) is [2-amino-1,3-di(propan-2-yl)-1,3-diazinan-5-yl]methanol.
What is the SMILES notation for [2-amino-1,3-di(propan-2-yl)-1,3-diazinan-5-yl]methanol?
The canonical SMILES for [2-amino-1,3-di(propan-2-yl)-1,3-diazinan-5-yl]methanol is CC(C)N1CC(CO)CN(C(C)C)C1N.
What is the InChIKey of [2-amino-1,3-di(propan-2-yl)-1,3-diazinan-5-yl]methanol?
The InChIKey is LTZAEGXQKOKFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-8(2)13-5-10(7-15)6-14(9(3)4)11(13)12/h8-11,15H,5-7,12H2,1-4H3.
What are the key properties of [2-amino-1,3-di(propan-2-yl)-1,3-diazinan-5-yl]methanol?
[2-amino-1,3-di(propan-2-yl)-1,3-diazinan-5-yl]methanol has a molecular weight of 215.34 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-1,3-di(propan-2-yl)-1,3-diazinan-5-yl]methanol is sourced from PubChem (CID 141074035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).