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

C10H18N2O — CID 14330046

IUPAC(NE)-N-[2-methyl-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)propylidene]hydroxylamine
SMILESCC(C)/C(=N\O)C1=CCCN(C)C1
InChIInChI=1S/C10H18N2O/c1-8(2)10(11-13)9-5-4-6-12(3)7-9/h5,8,13H,4,6-7H2,1-3H3/b11-10+
InChIKeyDWLUDSOOXNQNQB-ZHACJKMWSA-N
MW182.27 g/mol
LogP1.73
Rot. Bonds2

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

(NE)-N-[2-methyl-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)propylidene]hydroxylamine (PubChem CID 14330046) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is (NE)-N-[2-methyl-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)propylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[2-methyl-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)propylidene]hydroxylamine
PubChem CID14330046
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name(NE)-N-[2-methyl-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)propylidene]hydroxylamine
SMILESCC(C)/C(=N\O)C1=CCCN(C)C1
InChIInChI=1S/C10H18N2O/c1-8(2)10(11-13)9-5-4-6-12(3)7-9/h5,8,13H,4,6-7H2,1-3H3/b11-10+
InChIKeyDWLUDSOOXNQNQB-ZHACJKMWSA-N
XLogP1.73
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.73
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-[2-methyl-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)propylidene]hydroxylamine?
The IUPAC name of (NE)-N-[2-methyl-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)propylidene]hydroxylamine (CID 14330046) is (NE)-N-[2-methyl-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)propylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[2-methyl-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)propylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[2-methyl-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)propylidene]hydroxylamine is CC(C)/C(=N\O)C1=CCCN(C)C1.
What is the InChIKey of (NE)-N-[2-methyl-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)propylidene]hydroxylamine?
The InChIKey is DWLUDSOOXNQNQB-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H18N2O/c1-8(2)10(11-13)9-5-4-6-12(3)7-9/h5,8,13H,4,6-7H2,1-3H3/b11-10+.
What are the key properties of (NE)-N-[2-methyl-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)propylidene]hydroxylamine?
(NE)-N-[2-methyl-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)propylidene]hydroxylamine has a molecular weight of 182.27 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[2-methyl-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)propylidene]hydroxylamine is sourced from PubChem (CID 14330046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).