(NZ)-N-[(1S,3S,4S)-3-[benzyl(methyl)amino]-2-bicyclo[2.2.1]heptanylidene]hydroxylamine

C15H20N2O — CID 125027526

IUPAC(NZ)-N-[(1S,3S,4S)-3-[benzyl(methyl)amino]-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
SMILESCN(Cc1ccccc1)[C@@H]1/C(=N\O)[C@H]2CC[C@H]1C2
InChIInChI=1S/C15H20N2O/c1-17(10-11-5-3-2-4-6-11)15-13-8-7-12(9-13)14(15)16-18/h2-6,12-13,15,18H,7-10H2,1H3/b16-14-/t12-,13-,15-/m0/s1
InChIKeyYNZIHLDKDXMMJM-LHTXOPKDSA-N
MW244.34 g/mol
LogP2.75
Rot. Bonds3

About (NZ)-N-[(1S,3S,4S)-3-[benzyl(methyl)amino]-2-bicyclo[2.2.1]heptanylidene]hydroxylamine

(NZ)-N-[(1S,3S,4S)-3-[benzyl(methyl)amino]-2-bicyclo[2.2.1]heptanylidene]hydroxylamine (PubChem CID 125027526) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is (NZ)-N-[(1S,3S,4S)-3-[benzyl(methyl)amino]-2-bicyclo[2.2.1]heptanylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(1S,3S,4S)-3-[benzyl(methyl)amino]-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
PubChem CID125027526
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name(NZ)-N-[(1S,3S,4S)-3-[benzyl(methyl)amino]-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
SMILESCN(Cc1ccccc1)[C@@H]1/C(=N\O)[C@H]2CC[C@H]1C2
InChIInChI=1S/C15H20N2O/c1-17(10-11-5-3-2-4-6-11)15-13-8-7-12(9-13)14(15)16-18/h2-6,12-13,15,18H,7-10H2,1H3/b16-14-/t12-,13-,15-/m0/s1
InChIKeyYNZIHLDKDXMMJM-LHTXOPKDSA-N
XLogP2.75
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.75
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 (NZ)-N-[(1S,3S,4S)-3-[benzyl(methyl)amino]-2-bicyclo[2.2.1]heptanylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(1S,3S,4S)-3-[benzyl(methyl)amino]-2-bicyclo[2.2.1]heptanylidene]hydroxylamine (CID 125027526) is (NZ)-N-[(1S,3S,4S)-3-[benzyl(methyl)amino]-2-bicyclo[2.2.1]heptanylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(1S,3S,4S)-3-[benzyl(methyl)amino]-2-bicyclo[2.2.1]heptanylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(1S,3S,4S)-3-[benzyl(methyl)amino]-2-bicyclo[2.2.1]heptanylidene]hydroxylamine is CN(Cc1ccccc1)[C@@H]1/C(=N\O)[C@H]2CC[C@H]1C2.
What is the InChIKey of (NZ)-N-[(1S,3S,4S)-3-[benzyl(methyl)amino]-2-bicyclo[2.2.1]heptanylidene]hydroxylamine?
The InChIKey is YNZIHLDKDXMMJM-LHTXOPKDSA-N. The full InChI is InChI=1S/C15H20N2O/c1-17(10-11-5-3-2-4-6-11)15-13-8-7-12(9-13)14(15)16-18/h2-6,12-13,15,18H,7-10H2,1H3/b16-14-/t12-,13-,15-/m0/s1.
What are the key properties of (NZ)-N-[(1S,3S,4S)-3-[benzyl(methyl)amino]-2-bicyclo[2.2.1]heptanylidene]hydroxylamine?
(NZ)-N-[(1S,3S,4S)-3-[benzyl(methyl)amino]-2-bicyclo[2.2.1]heptanylidene]hydroxylamine has a molecular weight of 244.34 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(1S,3S,4S)-3-[benzyl(methyl)amino]-2-bicyclo[2.2.1]heptanylidene]hydroxylamine is sourced from PubChem (CID 125027526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).