3-methylhexane;neptunium;2-nitrosopropane

C10H21NNpO-2 — CID 163446837

IUPAC3-methylhexane;neptunium;2-nitrosopropane
SMILESCC[CH-]C(C)CC.[CH2-]C(C)N=O.[Np]
InChIInChI=1S/C7H15.C3H6NO.Np/c1-4-6-7(3)5-2;1-3(2)4-5;/h6-7H,4-5H2,1-3H3;3H,1H2,2H3;/q2*-1;
InChIKeyOVFDIUSWAUZOID-UHFFFAOYSA-N
MW408.28 g/mol
LogP3.62
Rot. Bonds4

About 3-methylhexane;neptunium;2-nitrosopropane

3-methylhexane;neptunium;2-nitrosopropane (PubChem CID 163446837) has the molecular formula C10H21NNpO-2 and a molecular weight of 408.28 g/mol. Its IUPAC name is 3-methylhexane;neptunium;2-nitrosopropane.

Molecular Properties

Compound Name3-methylhexane;neptunium;2-nitrosopropane
PubChem CID163446837
Molecular FormulaC10H21NNpO-2
Molecular Weight408.28 g/mol
Exact Mass407.21
IUPAC Name3-methylhexane;neptunium;2-nitrosopropane
SMILESCC[CH-]C(C)CC.[CH2-]C(C)N=O.[Np]
InChIInChI=1S/C7H15.C3H6NO.Np/c1-4-6-7(3)5-2;1-3(2)4-5;/h6-7H,4-5H2,1-3H3;3H,1H2,2H3;/q2*-1;
InChIKeyOVFDIUSWAUZOID-UHFFFAOYSA-N
XLogP3.62
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.28
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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2-methanidylbutane;rutherfordium
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2-nitrosopentan-3-ol
CID 88945091
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Frequently Asked Questions

What is the IUPAC name of 3-methylhexane;neptunium;2-nitrosopropane?
The IUPAC name of 3-methylhexane;neptunium;2-nitrosopropane (CID 163446837) is 3-methylhexane;neptunium;2-nitrosopropane.
What is the SMILES notation for 3-methylhexane;neptunium;2-nitrosopropane?
The canonical SMILES for 3-methylhexane;neptunium;2-nitrosopropane is CC[CH-]C(C)CC.[CH2-]C(C)N=O.[Np].
What is the InChIKey of 3-methylhexane;neptunium;2-nitrosopropane?
The InChIKey is OVFDIUSWAUZOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15.C3H6NO.Np/c1-4-6-7(3)5-2;1-3(2)4-5;/h6-7H,4-5H2,1-3H3;3H,1H2,2H3;/q2*-1;.
What are the key properties of 3-methylhexane;neptunium;2-nitrosopropane?
3-methylhexane;neptunium;2-nitrosopropane has a molecular weight of 408.28 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylhexane;neptunium;2-nitrosopropane is sourced from PubChem (CID 163446837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).