(NE)-N-[(2R)-2-[benzyl(2-phenylethyl)amino]cyclopentylidene]hydroxylamine

C20H24N2O — CID 98157872

IUPAC(NE)-N-[(2R)-2-[benzyl(2-phenylethyl)amino]cyclopentylidene]hydroxylamine
SMILESO/N=C1\CCC[C@H]1N(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H24N2O/c23-21-19-12-7-13-20(19)22(16-18-10-5-2-6-11-18)15-14-17-8-3-1-4-9-17/h1-6,8-11,20,23H,7,12-16H2/b21-19+/t20-/m1/s1
InChIKeyDAXFCZSUYWAQLH-YDJIHCHBSA-N
MW308.43 g/mol
LogP4.11
Rot. Bonds6

About (NE)-N-[(2R)-2-[benzyl(2-phenylethyl)amino]cyclopentylidene]hydroxylamine

(NE)-N-[(2R)-2-[benzyl(2-phenylethyl)amino]cyclopentylidene]hydroxylamine (PubChem CID 98157872) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is (NE)-N-[(2R)-2-[benzyl(2-phenylethyl)amino]cyclopentylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2R)-2-[benzyl(2-phenylethyl)amino]cyclopentylidene]hydroxylamine
PubChem CID98157872
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name(NE)-N-[(2R)-2-[benzyl(2-phenylethyl)amino]cyclopentylidene]hydroxylamine
SMILESO/N=C1\CCC[C@H]1N(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H24N2O/c23-21-19-12-7-13-20(19)22(16-18-10-5-2-6-11-18)15-14-17-8-3-1-4-9-17/h1-6,8-11,20,23H,7,12-16H2/b21-19+/t20-/m1/s1
InChIKeyDAXFCZSUYWAQLH-YDJIHCHBSA-N
XLogP4.11
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.11
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'}

Analyze (NE)-N-[(2R)-2-[benzyl(2-phenylethyl)amino]cyclopentylidene]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(NZ)-N-[2-(dibenzylamino)cyclopentylidene]hydroxylamine
CID 6382875
(NE)-N-[(2R)-2-[benzyl(ethyl)amino]cyclopentylidene]hydroxylamine
CID 98157295
N-benzyl-N-(2-phenylethyl)cyclohexanamine
CID 35215800
N-benzyl-N-(2-phenylethyl)piperidin-4-amine;hydroxy(phenyl)sulfanium
CID 144852641
4-[2-[benzyl(cyclopropyl)amino]ethyl]aniline
CID 43575140
2-[methyl(2-phenylethyl)amino]cyclopentan-1-one
CID 65488015
N,N-dibenzylcyclobutanamine
CID 70822586
(NZ)-N-[3-[benzyl(3-methylbutyl)amino]cyclohexylidene]hydroxylamine
CID 166083350
(NE)-N-(2-benzylcyclooctylidene)hydroxylamine
CID 88834321
3-[cyclopropyl(2-phenylethyl)amino]-N'-hydroxypropanimidamide
CID 54997431
N-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]cyclododecylidene]hydroxylamine
CID 4658554
2-[benzyl(3-methylbutyl)amino]cyclohexan-1-one
CID 166083528

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(2R)-2-[benzyl(2-phenylethyl)amino]cyclopentylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2R)-2-[benzyl(2-phenylethyl)amino]cyclopentylidene]hydroxylamine (CID 98157872) is (NE)-N-[(2R)-2-[benzyl(2-phenylethyl)amino]cyclopentylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2R)-2-[benzyl(2-phenylethyl)amino]cyclopentylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2R)-2-[benzyl(2-phenylethyl)amino]cyclopentylidene]hydroxylamine is O/N=C1\CCC[C@H]1N(CCc1ccccc1)Cc1ccccc1.
What is the InChIKey of (NE)-N-[(2R)-2-[benzyl(2-phenylethyl)amino]cyclopentylidene]hydroxylamine?
The InChIKey is DAXFCZSUYWAQLH-YDJIHCHBSA-N. The full InChI is InChI=1S/C20H24N2O/c23-21-19-12-7-13-20(19)22(16-18-10-5-2-6-11-18)15-14-17-8-3-1-4-9-17/h1-6,8-11,20,23H,7,12-16H2/b21-19+/t20-/m1/s1.
What are the key properties of (NE)-N-[(2R)-2-[benzyl(2-phenylethyl)amino]cyclopentylidene]hydroxylamine?
(NE)-N-[(2R)-2-[benzyl(2-phenylethyl)amino]cyclopentylidene]hydroxylamine has a molecular weight of 308.43 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2R)-2-[benzyl(2-phenylethyl)amino]cyclopentylidene]hydroxylamine is sourced from PubChem (CID 98157872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).