(NE)-N-[1-phenyl-3-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)propan-2-ylidene]hydroxylamine

C17H24N2O — CID 88528368

IUPAC(NE)-N-[1-phenyl-3-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)propan-2-ylidene]hydroxylamine
SMILESCCCN1CCC=C(C/C(Cc2ccccc2)=N/O)C1
InChIInChI=1S/C17H24N2O/c1-2-10-19-11-6-9-16(14-19)13-17(18-20)12-15-7-4-3-5-8-15/h3-5,7-9,20H,2,6,10-14H2,1H3/b18-17+
InChIKeyAKGDGPZYDXNNDG-ISLYRVAYSA-N
MW272.39 g/mol
LogP3.49
Rot. Bonds6

About (NE)-N-[1-phenyl-3-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)propan-2-ylidene]hydroxylamine

(NE)-N-[1-phenyl-3-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)propan-2-ylidene]hydroxylamine (PubChem CID 88528368) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is (NE)-N-[1-phenyl-3-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)propan-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-phenyl-3-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)propan-2-ylidene]hydroxylamine
PubChem CID88528368
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name(NE)-N-[1-phenyl-3-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)propan-2-ylidene]hydroxylamine
SMILESCCCN1CCC=C(C/C(Cc2ccccc2)=N/O)C1
InChIInChI=1S/C17H24N2O/c1-2-10-19-11-6-9-16(14-19)13-17(18-20)12-15-7-4-3-5-8-15/h3-5,7-9,20H,2,6,10-14H2,1H3/b18-17+
InChIKeyAKGDGPZYDXNNDG-ISLYRVAYSA-N
XLogP3.49
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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

(NE)-N-[3-phenyl-1-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)propylidene]hydroxylamine;hydrochloride
CID 14330056
N-(1-phenylpentan-2-ylidene)hydroxylamine
CID 131860547
1-benzyl-5-(fluoromethyl)-3,6-dihydro-2H-pyridine
CID 117205582
5-fluoro-1-propyl-3,6-dihydro-2H-pyridine
CID 127741808
3-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)propan-1-amine
CID 117205892
1-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)ethanone
CID 45086400
1-benzyl-4-propylpiperazine-2-thione
CID 102416484
N-[2-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)ethyl]cyclopropanamine
CID 117205656
1-[(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)methyl]piperazine
CID 117206009
(4E)-4-hydroxyimino-5-phenylpentanoic acid
CID 6341274
(NE)-N-(1-amino-3-phenylpropan-2-ylidene)hydroxylamine;hydrochloride
CID 88690569
4-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)aniline
CID 141303290

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-phenyl-3-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)propan-2-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-phenyl-3-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)propan-2-ylidene]hydroxylamine (CID 88528368) is (NE)-N-[1-phenyl-3-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)propan-2-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-phenyl-3-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)propan-2-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-phenyl-3-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)propan-2-ylidene]hydroxylamine is CCCN1CCC=C(C/C(Cc2ccccc2)=N/O)C1.
What is the InChIKey of (NE)-N-[1-phenyl-3-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)propan-2-ylidene]hydroxylamine?
The InChIKey is AKGDGPZYDXNNDG-ISLYRVAYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-2-10-19-11-6-9-16(14-19)13-17(18-20)12-15-7-4-3-5-8-15/h3-5,7-9,20H,2,6,10-14H2,1H3/b18-17+.
What are the key properties of (NE)-N-[1-phenyl-3-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)propan-2-ylidene]hydroxylamine?
(NE)-N-[1-phenyl-3-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)propan-2-ylidene]hydroxylamine has a molecular weight of 272.39 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-phenyl-3-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)propan-2-ylidene]hydroxylamine is sourced from PubChem (CID 88528368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).