N,N-dimethyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypropan-1-amine;bis(nitric acid)

C15H34N4O7 — CID 3047818

IUPACN,N-dimethyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypropan-1-amine;bis(nitric acid)
SMILESCN(C)CCCOC1CC(C)(C)N(C)C(C)(C)C1.O=[N+]([O-])O.O=[N+]([O-])O
InChIInChI=1S/C15H32N2O.2HNO3/c1-14(2)11-13(12-15(3,4)17(14)7)18-10-8-9-16(5)6;2*2-1(3)4/h13H,8-12H2,1-7H3;2*(H,2,3,4)
InChIKeyDXUBYNSHHLYSMX-UHFFFAOYSA-N
MW382.46 g/mol
LogP1.91
Rot. Bonds5

About N,N-dimethyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypropan-1-amine;bis(nitric acid)

N,N-dimethyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypropan-1-amine;bis(nitric acid) (PubChem CID 3047818) has the molecular formula C15H34N4O7 and a molecular weight of 382.46 g/mol. Its IUPAC name is N,N-dimethyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypropan-1-amine;bis(nitric acid).

Molecular Properties

Compound NameN,N-dimethyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypropan-1-amine;bis(nitric acid)
PubChem CID3047818
Molecular FormulaC15H34N4O7
Molecular Weight382.46 g/mol
Exact Mass382.24
IUPAC NameN,N-dimethyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypropan-1-amine;bis(nitric acid)
SMILESCN(C)CCCOC1CC(C)(C)N(C)C(C)(C)C1.O=[N+]([O-])O.O=[N+]([O-])O
InChIInChI=1S/C15H32N2O.2HNO3/c1-14(2)11-13(12-15(3,4)17(14)7)18-10-8-9-16(5)6;2*2-1(3)4/h13H,8-12H2,1-7H3;2*(H,2,3,4)
InChIKeyDXUBYNSHHLYSMX-UHFFFAOYSA-N
XLogP1.91
TPSA142.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 N,N-dimethyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypropan-1-amine;bis(nitric acid)?
The IUPAC name of N,N-dimethyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypropan-1-amine;bis(nitric acid) (CID 3047818) is N,N-dimethyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypropan-1-amine;bis(nitric acid).
What is the SMILES notation for N,N-dimethyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypropan-1-amine;bis(nitric acid)?
The canonical SMILES for N,N-dimethyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypropan-1-amine;bis(nitric acid) is CN(C)CCCOC1CC(C)(C)N(C)C(C)(C)C1.O=[N+]([O-])O.O=[N+]([O-])O.
What is the InChIKey of N,N-dimethyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypropan-1-amine;bis(nitric acid)?
The InChIKey is DXUBYNSHHLYSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O.2HNO3/c1-14(2)11-13(12-15(3,4)17(14)7)18-10-8-9-16(5)6;2*2-1(3)4/h13H,8-12H2,1-7H3;2*(H,2,3,4).
What are the key properties of N,N-dimethyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypropan-1-amine;bis(nitric acid)?
N,N-dimethyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypropan-1-amine;bis(nitric acid) has a molecular weight of 382.46 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypropan-1-amine;bis(nitric acid) is sourced from PubChem (CID 3047818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).