N-[1-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)-3-phenylpropylidene]hydroxylamine

C15H20N2O — CID 88528345

IUPACN-[1-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)-3-phenylpropylidene]hydroxylamine
SMILESCC1NCCC=C1C(CCc1ccccc1)=NO
InChIInChI=1S/C15H20N2O/c1-12-14(8-5-11-16-12)15(17-18)10-9-13-6-3-2-4-7-13/h2-4,6-8,12,16,18H,5,9-11H2,1H3
InChIKeyUUSIXJLDGDXKSC-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.76
Rot. Bonds4

About N-[1-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)-3-phenylpropylidene]hydroxylamine

N-[1-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)-3-phenylpropylidene]hydroxylamine (PubChem CID 88528345) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N-[1-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)-3-phenylpropylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)-3-phenylpropylidene]hydroxylamine
PubChem CID88528345
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-[1-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)-3-phenylpropylidene]hydroxylamine
SMILESCC1NCCC=C1C(CCc1ccccc1)=NO
InChIInChI=1S/C15H20N2O/c1-12-14(8-5-11-16-12)15(17-18)10-9-13-6-3-2-4-7-13/h2-4,6-8,12,16,18H,5,9-11H2,1H3
InChIKeyUUSIXJLDGDXKSC-UHFFFAOYSA-N
XLogP2.76
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.76
H-Bond Donors ≤ 52
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-[1-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)-3-phenylpropylidene]hydroxylamine?
The IUPAC name of N-[1-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)-3-phenylpropylidene]hydroxylamine (CID 88528345) is N-[1-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)-3-phenylpropylidene]hydroxylamine.
What is the SMILES notation for N-[1-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)-3-phenylpropylidene]hydroxylamine?
The canonical SMILES for N-[1-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)-3-phenylpropylidene]hydroxylamine is CC1NCCC=C1C(CCc1ccccc1)=NO.
What is the InChIKey of N-[1-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)-3-phenylpropylidene]hydroxylamine?
The InChIKey is UUSIXJLDGDXKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-12-14(8-5-11-16-12)15(17-18)10-9-13-6-3-2-4-7-13/h2-4,6-8,12,16,18H,5,9-11H2,1H3.
What are the key properties of N-[1-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)-3-phenylpropylidene]hydroxylamine?
N-[1-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)-3-phenylpropylidene]hydroxylamine has a molecular weight of 244.34 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)-3-phenylpropylidene]hydroxylamine is sourced from PubChem (CID 88528345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).