(4R)-N-[[[(4S)-decan-4-yl]-oxidoamino]oxyamino]oxy-N-oxidodecan-4-amine

C20H43N3O4-2 — CID 163424137

IUPAC(4R)-N-[[[(4S)-decan-4-yl]-oxidoamino]oxyamino]oxy-N-oxidodecan-4-amine
SMILESCCCCCC[C@@H](CCC)N([O-])ONON([O-])[C@@H](CCC)CCCCCC
InChIInChI=1S/C20H43N3O4/c1-5-9-11-13-17-19(15-7-3)22(24)26-21-27-23(25)20(16-8-4)18-14-12-10-6-2/h19-21H,5-18H2,1-4H3/q-2/t19-,20+
InChIKeyIAEDGBCTYHEMAX-BGYRXZFFSA-N
MW389.58 g/mol
LogP6.15
Rot. Bonds20

About (4R)-N-[[[(4S)-decan-4-yl]-oxidoamino]oxyamino]oxy-N-oxidodecan-4-amine

(4R)-N-[[[(4S)-decan-4-yl]-oxidoamino]oxyamino]oxy-N-oxidodecan-4-amine (PubChem CID 163424137) has the molecular formula C20H43N3O4-2 and a molecular weight of 389.58 g/mol. Its IUPAC name is (4R)-N-[[[(4S)-decan-4-yl]-oxidoamino]oxyamino]oxy-N-oxidodecan-4-amine.

Molecular Properties

Compound Name(4R)-N-[[[(4S)-decan-4-yl]-oxidoamino]oxyamino]oxy-N-oxidodecan-4-amine
PubChem CID163424137
Molecular FormulaC20H43N3O4-2
Molecular Weight389.58 g/mol
Exact Mass389.33
IUPAC Name(4R)-N-[[[(4S)-decan-4-yl]-oxidoamino]oxyamino]oxy-N-oxidodecan-4-amine
SMILESCCCCCC[C@@H](CCC)N([O-])ONON([O-])[C@@H](CCC)CCCCCC
InChIInChI=1S/C20H43N3O4/c1-5-9-11-13-17-19(15-7-3)22(24)26-21-27-23(25)20(16-8-4)18-14-12-10-6-2/h19-21H,5-18H2,1-4H3/q-2/t19-,20+
InChIKeyIAEDGBCTYHEMAX-BGYRXZFFSA-N
XLogP6.15
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.58
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-diethyltridecan-4-amine
CID 159822270
N,N-dibutyltridecan-4-amine
CID 139649762
N,N-dihydroxynonan-4-amine
CID 139703467
N,N-dibutyldocosan-4-amine;hydrochloride
CID 88809757
N,N-dimethyltetracontan-19-amine
CID 45382230
(10R)-N,N-dimethylheptacosan-10-amine
CID 134549801
N,N-dimethylicosan-7-amine;hydrobromide
CID 173410689
N,N-dimethylpentadecan-8-amine;hydrobromide
CID 173437553
N,N-dimethylicosan-5-amine
CID 19862397
2-[decan-4-yl(2-hydroxyethyl)amino]ethanol
CID 169095504
4,10-dimethyltriacontane
CID 6430425
4-methyloctadecane
CID 517866

Frequently Asked Questions

What is the IUPAC name of (4R)-N-[[[(4S)-decan-4-yl]-oxidoamino]oxyamino]oxy-N-oxidodecan-4-amine?
The IUPAC name of (4R)-N-[[[(4S)-decan-4-yl]-oxidoamino]oxyamino]oxy-N-oxidodecan-4-amine (CID 163424137) is (4R)-N-[[[(4S)-decan-4-yl]-oxidoamino]oxyamino]oxy-N-oxidodecan-4-amine.
What is the SMILES notation for (4R)-N-[[[(4S)-decan-4-yl]-oxidoamino]oxyamino]oxy-N-oxidodecan-4-amine?
The canonical SMILES for (4R)-N-[[[(4S)-decan-4-yl]-oxidoamino]oxyamino]oxy-N-oxidodecan-4-amine is CCCCCC[C@@H](CCC)N([O-])ONON([O-])[C@@H](CCC)CCCCCC.
What is the InChIKey of (4R)-N-[[[(4S)-decan-4-yl]-oxidoamino]oxyamino]oxy-N-oxidodecan-4-amine?
The InChIKey is IAEDGBCTYHEMAX-BGYRXZFFSA-N. The full InChI is InChI=1S/C20H43N3O4/c1-5-9-11-13-17-19(15-7-3)22(24)26-21-27-23(25)20(16-8-4)18-14-12-10-6-2/h19-21H,5-18H2,1-4H3/q-2/t19-,20+.
What are the key properties of (4R)-N-[[[(4S)-decan-4-yl]-oxidoamino]oxyamino]oxy-N-oxidodecan-4-amine?
(4R)-N-[[[(4S)-decan-4-yl]-oxidoamino]oxyamino]oxy-N-oxidodecan-4-amine has a molecular weight of 389.58 g/mol, XLogP of 6.15, 20 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[[[(4S)-decan-4-yl]-oxidoamino]oxyamino]oxy-N-oxidodecan-4-amine is sourced from PubChem (CID 163424137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).