(NE)-N-[5-(methylamino)-1-phenylpentylidene]hydroxylamine

C12H18N2O — CID 54025764

IUPAC(NE)-N-[5-(methylamino)-1-phenylpentylidene]hydroxylamine
SMILESCNCCCC/C(=N\O)c1ccccc1
InChIInChI=1S/C12H18N2O/c1-13-10-6-5-9-12(14-15)11-7-3-2-4-8-11/h2-4,7-8,13,15H,5-6,9-10H2,1H3/b14-12+
InChIKeyLCBCSHRKANKEIL-WYMLVPIESA-N
MW206.29 g/mol
LogP2.25
Rot. Bonds6

About (NE)-N-[5-(methylamino)-1-phenylpentylidene]hydroxylamine

(NE)-N-[5-(methylamino)-1-phenylpentylidene]hydroxylamine (PubChem CID 54025764) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is (NE)-N-[5-(methylamino)-1-phenylpentylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[5-(methylamino)-1-phenylpentylidene]hydroxylamine
PubChem CID54025764
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name(NE)-N-[5-(methylamino)-1-phenylpentylidene]hydroxylamine
SMILESCNCCCC/C(=N\O)c1ccccc1
InChIInChI=1S/C12H18N2O/c1-13-10-6-5-9-12(14-15)11-7-3-2-4-8-11/h2-4,7-8,13,15H,5-6,9-10H2,1H3/b14-12+
InChIKeyLCBCSHRKANKEIL-WYMLVPIESA-N
XLogP2.25
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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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Related Compounds

(1Z)-N-hydroxy-1-phenyl-2-(piperidin-1-yl)ethanimine
CID 6369915
2-Hydroxyamino-2-methyl-1-phenyl-propan-1-one oxime
CID 5392395
(4e)-4-Imino-3-(2-phenylethyl)pyridin-1(4h)-ol
CID 243175
(Z)-(2,4-Difluorophenyl)piperidin-4-ylmethanone oxime monohydrochloride
CID 11543663
Methanone, (2,4-difluorophenyl)-4-piperidinyl-, oxime, hydrochloride (1:1)
CID 57357481
(2,4-Difluorophenyl)-4-piperidinylmethanone oxime, (Z)-
CID 10040437
2,4-Difluorophenyl 4-Piperidinyl Ketoxime
CID 57352713
2-(Hydroxyamino)-2-methyl-1-phenylpropan-1-one oxime
CID 378671
(NE)-N-(1-phenyl-2-piperidin-1-ylethylidene)hydroxylamine
CID 5382709
2-(Hydroxyamino)-2-methyl-1-phenyl-propan-1-one oxime
CID 5467998
(NE)-N-[2-(2,6-dimethylpiperidin-1-yl)-1-phenylethylidene]hydroxylamine
CID 15744660
Aminoisobutyrophenone oxime
CID 5078889

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[5-(methylamino)-1-phenylpentylidene]hydroxylamine?
The IUPAC name of (NE)-N-[5-(methylamino)-1-phenylpentylidene]hydroxylamine (CID 54025764) is (NE)-N-[5-(methylamino)-1-phenylpentylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[5-(methylamino)-1-phenylpentylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[5-(methylamino)-1-phenylpentylidene]hydroxylamine is CNCCCC/C(=N\O)c1ccccc1.
What is the InChIKey of (NE)-N-[5-(methylamino)-1-phenylpentylidene]hydroxylamine?
The InChIKey is LCBCSHRKANKEIL-WYMLVPIESA-N. The full InChI is InChI=1S/C12H18N2O/c1-13-10-6-5-9-12(14-15)11-7-3-2-4-8-11/h2-4,7-8,13,15H,5-6,9-10H2,1H3/b14-12+.
What are the key properties of (NE)-N-[5-(methylamino)-1-phenylpentylidene]hydroxylamine?
(NE)-N-[5-(methylamino)-1-phenylpentylidene]hydroxylamine has a molecular weight of 206.29 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[5-(methylamino)-1-phenylpentylidene]hydroxylamine is sourced from PubChem (CID 54025764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).