(5-nitro-1,3-dipropyl-1,3-diazinan-5-yl)methanol

C11H23N3O3 — CID 69217457

IUPAC(5-nitro-1,3-dipropyl-1,3-diazinan-5-yl)methanol
SMILESCCCN1CN(CCC)CC(CO)([N+](=O)[O-])C1
InChIInChI=1S/C11H23N3O3/c1-3-5-12-7-11(9-15,14(16)17)8-13(10-12)6-4-2/h15H,3-10H2,1-2H3
InChIKeyZEJZBHMFOUZZGB-UHFFFAOYSA-N
MW245.32 g/mol
LogP0.39
Rot. Bonds6

About (5-nitro-1,3-dipropyl-1,3-diazinan-5-yl)methanol

(5-nitro-1,3-dipropyl-1,3-diazinan-5-yl)methanol (PubChem CID 69217457) has the molecular formula C11H23N3O3 and a molecular weight of 245.32 g/mol. Its IUPAC name is (5-nitro-1,3-dipropyl-1,3-diazinan-5-yl)methanol.

Molecular Properties

Compound Name(5-nitro-1,3-dipropyl-1,3-diazinan-5-yl)methanol
PubChem CID69217457
Molecular FormulaC11H23N3O3
Molecular Weight245.32 g/mol
Exact Mass245.17
IUPAC Name(5-nitro-1,3-dipropyl-1,3-diazinan-5-yl)methanol
SMILESCCCN1CN(CCC)CC(CO)([N+](=O)[O-])C1
InChIInChI=1S/C11H23N3O3/c1-3-5-12-7-11(9-15,14(16)17)8-13(10-12)6-4-2/h15H,3-10H2,1-2H3
InChIKeyZEJZBHMFOUZZGB-UHFFFAOYSA-N
XLogP0.39
TPSA69.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-nitro-1,3-dipropyl-1,3-diazinan-5-yl)methanol?
The IUPAC name of (5-nitro-1,3-dipropyl-1,3-diazinan-5-yl)methanol (CID 69217457) is (5-nitro-1,3-dipropyl-1,3-diazinan-5-yl)methanol.
What is the SMILES notation for (5-nitro-1,3-dipropyl-1,3-diazinan-5-yl)methanol?
The canonical SMILES for (5-nitro-1,3-dipropyl-1,3-diazinan-5-yl)methanol is CCCN1CN(CCC)CC(CO)([N+](=O)[O-])C1.
What is the InChIKey of (5-nitro-1,3-dipropyl-1,3-diazinan-5-yl)methanol?
The InChIKey is ZEJZBHMFOUZZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3/c1-3-5-12-7-11(9-15,14(16)17)8-13(10-12)6-4-2/h15H,3-10H2,1-2H3.
What are the key properties of (5-nitro-1,3-dipropyl-1,3-diazinan-5-yl)methanol?
(5-nitro-1,3-dipropyl-1,3-diazinan-5-yl)methanol has a molecular weight of 245.32 g/mol, XLogP of 0.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-nitro-1,3-dipropyl-1,3-diazinan-5-yl)methanol is sourced from PubChem (CID 69217457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).