N-benzyl-N-(3-cyclopropyl-1-phenylprop-2-ynyl)hydroxylamine

C19H19NO — CID 132503914

IUPACN-benzyl-N-(3-cyclopropyl-1-phenylprop-2-ynyl)hydroxylamine
SMILESON(Cc1ccccc1)C(C#CC1CC1)c1ccccc1
InChIInChI=1S/C19H19NO/c21-20(15-17-7-3-1-4-8-17)19(14-13-16-11-12-16)18-9-5-2-6-10-18/h1-10,16,19,21H,11-12,15H2
InChIKeyZRIFNTPZSVRZFG-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.03
Rot. Bonds4

About N-benzyl-N-(3-cyclopropyl-1-phenylprop-2-ynyl)hydroxylamine

N-benzyl-N-(3-cyclopropyl-1-phenylprop-2-ynyl)hydroxylamine (PubChem CID 132503914) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is N-benzyl-N-(3-cyclopropyl-1-phenylprop-2-ynyl)hydroxylamine.

Molecular Properties

Compound NameN-benzyl-N-(3-cyclopropyl-1-phenylprop-2-ynyl)hydroxylamine
PubChem CID132503914
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC NameN-benzyl-N-(3-cyclopropyl-1-phenylprop-2-ynyl)hydroxylamine
SMILESON(Cc1ccccc1)C(C#CC1CC1)c1ccccc1
InChIInChI=1S/C19H19NO/c21-20(15-17-7-3-1-4-8-17)19(14-13-16-11-12-16)18-9-5-2-6-10-18/h1-10,16,19,21H,11-12,15H2
InChIKeyZRIFNTPZSVRZFG-UHFFFAOYSA-N
XLogP4.03
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(3-cyclopropyl-1-phenylprop-2-ynyl)hydroxylamine?
The IUPAC name of N-benzyl-N-(3-cyclopropyl-1-phenylprop-2-ynyl)hydroxylamine (CID 132503914) is N-benzyl-N-(3-cyclopropyl-1-phenylprop-2-ynyl)hydroxylamine.
What is the SMILES notation for N-benzyl-N-(3-cyclopropyl-1-phenylprop-2-ynyl)hydroxylamine?
The canonical SMILES for N-benzyl-N-(3-cyclopropyl-1-phenylprop-2-ynyl)hydroxylamine is ON(Cc1ccccc1)C(C#CC1CC1)c1ccccc1.
What is the InChIKey of N-benzyl-N-(3-cyclopropyl-1-phenylprop-2-ynyl)hydroxylamine?
The InChIKey is ZRIFNTPZSVRZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c21-20(15-17-7-3-1-4-8-17)19(14-13-16-11-12-16)18-9-5-2-6-10-18/h1-10,16,19,21H,11-12,15H2.
What are the key properties of N-benzyl-N-(3-cyclopropyl-1-phenylprop-2-ynyl)hydroxylamine?
N-benzyl-N-(3-cyclopropyl-1-phenylprop-2-ynyl)hydroxylamine has a molecular weight of 277.37 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(3-cyclopropyl-1-phenylprop-2-ynyl)hydroxylamine is sourced from PubChem (CID 132503914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).