(NE)-N-[1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)propylidene]hydroxylamine

C9H16N2O — CID 88630952

IUPAC(NE)-N-[1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)propylidene]hydroxylamine
SMILESCC/C(=N\O)C1=CCCN(C)C1
InChIInChI=1S/C9H16N2O/c1-3-9(10-12)8-5-4-6-11(2)7-8/h5,12H,3-4,6-7H2,1-2H3/b10-9+
InChIKeyQRSXCFIIFIZGIP-MDZDMXLPSA-N
MW168.24 g/mol
LogP1.49
Rot. Bonds2

About (NE)-N-[1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)propylidene]hydroxylamine

(NE)-N-[1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)propylidene]hydroxylamine (PubChem CID 88630952) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is (NE)-N-[1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)propylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)propylidene]hydroxylamine
PubChem CID88630952
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name(NE)-N-[1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)propylidene]hydroxylamine
SMILESCC/C(=N\O)C1=CCCN(C)C1
InChIInChI=1S/C9H16N2O/c1-3-9(10-12)8-5-4-6-11(2)7-8/h5,12H,3-4,6-7H2,1-2H3/b10-9+
InChIKeyQRSXCFIIFIZGIP-MDZDMXLPSA-N
XLogP1.49
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.49
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 (NE)-N-[1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)propylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)propylidene]hydroxylamine (CID 88630952) is (NE)-N-[1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)propylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)propylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)propylidene]hydroxylamine is CC/C(=N\O)C1=CCCN(C)C1.
What is the InChIKey of (NE)-N-[1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)propylidene]hydroxylamine?
The InChIKey is QRSXCFIIFIZGIP-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H16N2O/c1-3-9(10-12)8-5-4-6-11(2)7-8/h5,12H,3-4,6-7H2,1-2H3/b10-9+.
What are the key properties of (NE)-N-[1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)propylidene]hydroxylamine?
(NE)-N-[1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)propylidene]hydroxylamine has a molecular weight of 168.24 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)propylidene]hydroxylamine is sourced from PubChem (CID 88630952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).