(NE)-N-[[6-(dipropylamino)-5-methyl-3-pyridinyl]methylidene]hydroxylamine

C13H21N3O — CID 102544681

IUPAC(NE)-N-[[6-(dipropylamino)-5-methyl-3-pyridinyl]methylidene]hydroxylamine
SMILESCCCN(CCC)c1ncc(/C=N/O)cc1C
InChIInChI=1S/C13H21N3O/c1-4-6-16(7-5-2)13-11(3)8-12(9-14-13)10-15-17/h8-10,17H,4-7H2,1-3H3/b15-10+
InChIKeyMXOGDSFVALMKJH-XNTDXEJSSA-N
MW235.33 g/mol
LogP2.82
Rot. Bonds6

About (NE)-N-[[6-(dipropylamino)-5-methyl-3-pyridinyl]methylidene]hydroxylamine

(NE)-N-[[6-(dipropylamino)-5-methyl-3-pyridinyl]methylidene]hydroxylamine (PubChem CID 102544681) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is (NE)-N-[[6-(dipropylamino)-5-methyl-3-pyridinyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[6-(dipropylamino)-5-methyl-3-pyridinyl]methylidene]hydroxylamine
PubChem CID102544681
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name(NE)-N-[[6-(dipropylamino)-5-methyl-3-pyridinyl]methylidene]hydroxylamine
SMILESCCCN(CCC)c1ncc(/C=N/O)cc1C
InChIInChI=1S/C13H21N3O/c1-4-6-16(7-5-2)13-11(3)8-12(9-14-13)10-15-17/h8-10,17H,4-7H2,1-3H3/b15-10+
InChIKeyMXOGDSFVALMKJH-XNTDXEJSSA-N
XLogP2.82
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (NE)-N-[[6-(dipropylamino)-5-methyl-3-pyridinyl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[6-(dipropylamino)-5-methyl-3-pyridinyl]methylidene]hydroxylamine (CID 102544681) is (NE)-N-[[6-(dipropylamino)-5-methyl-3-pyridinyl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[6-(dipropylamino)-5-methyl-3-pyridinyl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[6-(dipropylamino)-5-methyl-3-pyridinyl]methylidene]hydroxylamine is CCCN(CCC)c1ncc(/C=N/O)cc1C.
What is the InChIKey of (NE)-N-[[6-(dipropylamino)-5-methyl-3-pyridinyl]methylidene]hydroxylamine?
The InChIKey is MXOGDSFVALMKJH-XNTDXEJSSA-N. The full InChI is InChI=1S/C13H21N3O/c1-4-6-16(7-5-2)13-11(3)8-12(9-14-13)10-15-17/h8-10,17H,4-7H2,1-3H3/b15-10+.
What are the key properties of (NE)-N-[[6-(dipropylamino)-5-methyl-3-pyridinyl]methylidene]hydroxylamine?
(NE)-N-[[6-(dipropylamino)-5-methyl-3-pyridinyl]methylidene]hydroxylamine has a molecular weight of 235.33 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[6-(dipropylamino)-5-methyl-3-pyridinyl]methylidene]hydroxylamine is sourced from PubChem (CID 102544681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).