N-hydroperoxynonan-1-amine

C9H21NO2 — CID 173164442

IUPACN-hydroperoxynonan-1-amine
SMILESCCCCCCCCCNOO
InChIInChI=1S/C9H21NO2/c1-2-3-4-5-6-7-8-9-10-12-11/h10-11H,2-9H2,1H3
InChIKeyOZLOGXCSEAQKIB-UHFFFAOYSA-N
MW175.27 g/mol
LogP2.73
Rot. Bonds9

About N-hydroperoxynonan-1-amine

N-hydroperoxynonan-1-amine (PubChem CID 173164442) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is N-hydroperoxynonan-1-amine.

Molecular Properties

Compound NameN-hydroperoxynonan-1-amine
PubChem CID173164442
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC NameN-hydroperoxynonan-1-amine
SMILESCCCCCCCCCNOO
InChIInChI=1S/C9H21NO2/c1-2-3-4-5-6-7-8-9-10-12-11/h10-11H,2-9H2,1H3
InChIKeyOZLOGXCSEAQKIB-UHFFFAOYSA-N
XLogP2.73
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(octadecylamino)oxyoctadecan-1-amine
CID 57437992
N-(tetracosylamino)oxytetracosan-1-amine
CID 134207792
N-methoxydodecan-1-amine
CID 14131600
O-(octylamino)hydroxylamine
CID 118072495
(hexylamino) octanoate
CID 174754807
calcium;hydride;(octadecylamino) acetate
CID 174640254
(nonylamino) butanoate
CID 167224180
bis(hexylamino) (Z)-but-2-enedioate
CID 174812524
(dodecylamino) octanoate
CID 175102615
(pentylamino) acetate
CID 87721742
N-butoxydecan-1-amine
CID 154317996
N-[2-(pentylamino)oxyethoxy]pentan-1-amine
CID 87873811

Frequently Asked Questions

What is the IUPAC name of N-hydroperoxynonan-1-amine?
The IUPAC name of N-hydroperoxynonan-1-amine (CID 173164442) is N-hydroperoxynonan-1-amine.
What is the SMILES notation for N-hydroperoxynonan-1-amine?
The canonical SMILES for N-hydroperoxynonan-1-amine is CCCCCCCCCNOO.
What is the InChIKey of N-hydroperoxynonan-1-amine?
The InChIKey is OZLOGXCSEAQKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2/c1-2-3-4-5-6-7-8-9-10-12-11/h10-11H,2-9H2,1H3.
What are the key properties of N-hydroperoxynonan-1-amine?
N-hydroperoxynonan-1-amine has a molecular weight of 175.27 g/mol, XLogP of 2.73, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroperoxynonan-1-amine is sourced from PubChem (CID 173164442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).