(NE)-N-[(1S,3S,4R)-3-(dibenzylamino)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine

C21H24N2O — CID 98156705

IUPAC(NE)-N-[(1S,3S,4R)-3-(dibenzylamino)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
SMILESO/N=C1\[C@H]2CC[C@H](C2)[C@@H]1N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H24N2O/c24-22-20-18-11-12-19(13-18)21(20)23(14-16-7-3-1-4-8-16)15-17-9-5-2-6-10-17/h1-10,18-19,21,24H,11-15H2/b22-20+/t18-,19+,21-/m0/s1
InChIKeyKQJQNSLESJCQQO-LHRXHHRKSA-N
MW320.44 g/mol
LogP4.32
Rot. Bonds5

About (NE)-N-[(1S,3S,4R)-3-(dibenzylamino)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine

(NE)-N-[(1S,3S,4R)-3-(dibenzylamino)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine (PubChem CID 98156705) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is (NE)-N-[(1S,3S,4R)-3-(dibenzylamino)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(1S,3S,4R)-3-(dibenzylamino)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
PubChem CID98156705
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name(NE)-N-[(1S,3S,4R)-3-(dibenzylamino)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
SMILESO/N=C1\[C@H]2CC[C@H](C2)[C@@H]1N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H24N2O/c24-22-20-18-11-12-19(13-18)21(20)23(14-16-7-3-1-4-8-16)15-17-9-5-2-6-10-17/h1-10,18-19,21,24H,11-15H2/b22-20+/t18-,19+,21-/m0/s1
InChIKeyKQJQNSLESJCQQO-LHRXHHRKSA-N
XLogP4.32
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 54.32
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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Related Compounds

(NE)-N-[(1S,3S,4S)-3-(dibenzylamino)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
CID 98156707
(NZ)-N-[(1S,3S,4S)-3-[benzyl(methyl)amino]-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
CID 125027526
(NE)-N-[(1S,3R,4S)-3-(2-methyl-2-phenylhydrazinyl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
CID 125027489
(NZ)-N-[2-(dibenzylamino)cyclopentylidene]hydroxylamine
CID 6382875
N,N-dibenzylcyclobutanamine
CID 70822586
(2S,4S)-4-(dibenzylamino)-5-oxopyrrolidine-2-carboxylic acid
CID 23631625
(NE)-N-[(2R)-2-[benzyl(ethyl)amino]cyclopentylidene]hydroxylamine
CID 98157295
2-hydroxy-N'-[(1R,2S,3E,4S)-3-hydroxyimino-2-bicyclo[2.2.1]heptanyl]benzohydrazide
CID 98156057
[(3R)-3-(dibenzylamino)cyclopentyl]methanol
CID 141255961
(NE)-N-[(2R)-2-[benzyl(2-phenylethyl)amino]cyclopentylidene]hydroxylamine
CID 98157872
(NZ)-N-(3-indol-1-yl-2-bicyclo[2.2.1]heptanylidene)hydroxylamine
CID 20788489
3-(dibenzylamino)cyclopentane-1-carboxylic acid
CID 67068353

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(1S,3S,4R)-3-(dibenzylamino)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(1S,3S,4R)-3-(dibenzylamino)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine (CID 98156705) is (NE)-N-[(1S,3S,4R)-3-(dibenzylamino)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(1S,3S,4R)-3-(dibenzylamino)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(1S,3S,4R)-3-(dibenzylamino)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine is O/N=C1\[C@H]2CC[C@H](C2)[C@@H]1N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (NE)-N-[(1S,3S,4R)-3-(dibenzylamino)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine?
The InChIKey is KQJQNSLESJCQQO-LHRXHHRKSA-N. The full InChI is InChI=1S/C21H24N2O/c24-22-20-18-11-12-19(13-18)21(20)23(14-16-7-3-1-4-8-16)15-17-9-5-2-6-10-17/h1-10,18-19,21,24H,11-15H2/b22-20+/t18-,19+,21-/m0/s1.
What are the key properties of (NE)-N-[(1S,3S,4R)-3-(dibenzylamino)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine?
(NE)-N-[(1S,3S,4R)-3-(dibenzylamino)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine has a molecular weight of 320.44 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(1S,3S,4R)-3-(dibenzylamino)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine is sourced from PubChem (CID 98156705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).