N-methylpentan-3-imine;N-pentan-3-ylidenehydroxylamine

C11H24N2O — CID 159028585

IUPACN-methylpentan-3-imine;N-pentan-3-ylidenehydroxylamine
SMILESCCC(CC)=NC.CCC(CC)=NO
InChIInChI=1S/C6H13N.C5H11NO/c1-4-6(5-2)7-3;1-3-5(4-2)6-7/h4-5H2,1-3H3;7H,3-4H2,1-2H3
InChIKeyJUOXEIMPHXPNTB-UHFFFAOYSA-N
MW200.33 g/mol
LogP3.51
Rot. Bonds4

About N-methylpentan-3-imine;N-pentan-3-ylidenehydroxylamine

N-methylpentan-3-imine;N-pentan-3-ylidenehydroxylamine (PubChem CID 159028585) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is N-methylpentan-3-imine;N-pentan-3-ylidenehydroxylamine.

Molecular Properties

Compound NameN-methylpentan-3-imine;N-pentan-3-ylidenehydroxylamine
PubChem CID159028585
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC NameN-methylpentan-3-imine;N-pentan-3-ylidenehydroxylamine
SMILESCCC(CC)=NC.CCC(CC)=NO
InChIInChI=1S/C6H13N.C5H11NO/c1-4-6(5-2)7-3;1-3-5(4-2)6-7/h4-5H2,1-3H3;7H,3-4H2,1-2H3
InChIKeyJUOXEIMPHXPNTB-UHFFFAOYSA-N
XLogP3.51
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methylpentan-3-imine;N-pentan-3-ylidenehydroxylamine?
The IUPAC name of N-methylpentan-3-imine;N-pentan-3-ylidenehydroxylamine (CID 159028585) is N-methylpentan-3-imine;N-pentan-3-ylidenehydroxylamine.
What is the SMILES notation for N-methylpentan-3-imine;N-pentan-3-ylidenehydroxylamine?
The canonical SMILES for N-methylpentan-3-imine;N-pentan-3-ylidenehydroxylamine is CCC(CC)=NC.CCC(CC)=NO.
What is the InChIKey of N-methylpentan-3-imine;N-pentan-3-ylidenehydroxylamine?
The InChIKey is JUOXEIMPHXPNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C5H11NO/c1-4-6(5-2)7-3;1-3-5(4-2)6-7/h4-5H2,1-3H3;7H,3-4H2,1-2H3.
What are the key properties of N-methylpentan-3-imine;N-pentan-3-ylidenehydroxylamine?
N-methylpentan-3-imine;N-pentan-3-ylidenehydroxylamine has a molecular weight of 200.33 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylpentan-3-imine;N-pentan-3-ylidenehydroxylamine is sourced from PubChem (CID 159028585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).