nonan-1-amine;peroxyformic acid

C10H23NO3 — CID 172825043

IUPACnonan-1-amine;peroxyformic acid
SMILESCCCCCCCCCN.O=COO
InChIInChI=1S/C9H21N.CH2O3/c1-2-3-4-5-6-7-8-9-10;2-1-4-3/h2-10H2,1H3;1,3H
InChIKeyUTAAOFJBJZULIV-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.33
Rot. Bonds8

About nonan-1-amine;peroxyformic acid

nonan-1-amine;peroxyformic acid (PubChem CID 172825043) has the molecular formula C10H23NO3 and a molecular weight of 205.30 g/mol. Its IUPAC name is nonan-1-amine;peroxyformic acid.

Molecular Properties

Compound Namenonan-1-amine;peroxyformic acid
PubChem CID172825043
Molecular FormulaC10H23NO3
Molecular Weight205.30 g/mol
Exact Mass205.17
IUPAC Namenonan-1-amine;peroxyformic acid
SMILESCCCCCCCCCN.O=COO
InChIInChI=1S/C9H21N.CH2O3/c1-2-3-4-5-6-7-8-9-10;2-1-4-3/h2-10H2,1H3;1,3H
InChIKeyUTAAOFJBJZULIV-UHFFFAOYSA-N
XLogP2.33
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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

formic acid;heptan-1-amine
CID 144828464
decan-1-amine;formic acid
CID 157494086
dodecan-1-amine;hydroxylamine
CID 175960605
tridecan-1-amine;undecan-1-amine
CID 23045943
butane-1,4-diamine;hexan-1-amine
CID 162097736
decan-1-amine;hexan-1-amine
CID 162216125
hexacosan-1-amine
CID 14550481
dotetracontan-1-amine
CID 14550497
hexadecan-1-amine;propan-2-one
CID 175396285
decan-1-amine;dihydrochloride
CID 172731620
octadecan-1-amine;titanium
CID 174493472
decane;decane-1,10-diamine;methanediamine
CID 158649191

Frequently Asked Questions

What is the IUPAC name of nonan-1-amine;peroxyformic acid?
The IUPAC name of nonan-1-amine;peroxyformic acid (CID 172825043) is nonan-1-amine;peroxyformic acid.
What is the SMILES notation for nonan-1-amine;peroxyformic acid?
The canonical SMILES for nonan-1-amine;peroxyformic acid is CCCCCCCCCN.O=COO.
What is the InChIKey of nonan-1-amine;peroxyformic acid?
The InChIKey is UTAAOFJBJZULIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N.CH2O3/c1-2-3-4-5-6-7-8-9-10;2-1-4-3/h2-10H2,1H3;1,3H.
What are the key properties of nonan-1-amine;peroxyformic acid?
nonan-1-amine;peroxyformic acid has a molecular weight of 205.30 g/mol, XLogP of 2.33, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for nonan-1-amine;peroxyformic acid is sourced from PubChem (CID 172825043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).