N,N-dihydroxynonan-4-amine

C9H21NO2 — CID 139703467

IUPACN,N-dihydroxynonan-4-amine
SMILESCCCCCC(CCC)N(O)O
InChIInChI=1S/C9H21NO2/c1-3-5-6-8-9(7-4-2)10(11)12/h9,11-12H,3-8H2,1-2H3
InChIKeyCRPPXJHAMPMCCT-UHFFFAOYSA-N
MW175.27 g/mol
LogP2.82
Rot. Bonds7

About N,N-dihydroxynonan-4-amine

N,N-dihydroxynonan-4-amine (PubChem CID 139703467) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is N,N-dihydroxynonan-4-amine.

Molecular Properties

Compound NameN,N-dihydroxynonan-4-amine
PubChem CID139703467
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC NameN,N-dihydroxynonan-4-amine
SMILESCCCCCC(CCC)N(O)O
InChIInChI=1S/C9H21NO2/c1-3-5-6-8-9(7-4-2)10(11)12/h9,11-12H,3-8H2,1-2H3
InChIKeyCRPPXJHAMPMCCT-UHFFFAOYSA-N
XLogP2.82
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 52.82
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'}

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Related Compounds

N,N-dihydroxydecan-5-amine
CID 88629686
N,N-diethyltridecan-4-amine
CID 159822270
N,N-dihydroxyoctadecan-2-amine
CID 19777704
2-[decan-4-yl(2-hydroxyethyl)amino]ethanol
CID 169095504
N,N-dibutyltridecan-4-amine
CID 139649762
N-icosan-3-yl-N-methylhydroxylamine
CID 90035828
N-methyl-N-octadecan-3-ylhydroxylamine
CID 90035792
N,N-dibutyldocosan-4-amine;hydrochloride
CID 88809757
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CID 45382230
(10R)-N,N-dimethylheptacosan-10-amine
CID 134549801
1-[methyl(octan-4-yl)amino]butan-1-ol
CID 88539765
N,N-dimethylicosan-7-amine;hydrobromide
CID 173410689

Frequently Asked Questions

What is the IUPAC name of N,N-dihydroxynonan-4-amine?
The IUPAC name of N,N-dihydroxynonan-4-amine (CID 139703467) is N,N-dihydroxynonan-4-amine.
What is the SMILES notation for N,N-dihydroxynonan-4-amine?
The canonical SMILES for N,N-dihydroxynonan-4-amine is CCCCCC(CCC)N(O)O.
What is the InChIKey of N,N-dihydroxynonan-4-amine?
The InChIKey is CRPPXJHAMPMCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2/c1-3-5-6-8-9(7-4-2)10(11)12/h9,11-12H,3-8H2,1-2H3.
What are the key properties of N,N-dihydroxynonan-4-amine?
N,N-dihydroxynonan-4-amine has a molecular weight of 175.27 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dihydroxynonan-4-amine is sourced from PubChem (CID 139703467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).