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

C14H20N2O — CID 98157295

IUPAC(NE)-N-[(2R)-2-[benzyl(ethyl)amino]cyclopentylidene]hydroxylamine
SMILESCCN(Cc1ccccc1)[C@@H]1CCC/C1=N\O
InChIInChI=1S/C14H20N2O/c1-2-16(11-12-7-4-3-5-8-12)14-10-6-9-13(14)15-17/h3-5,7-8,14,17H,2,6,9-11H2,1H3/b15-13+/t14-/m1/s1
InChIKeyOKFQZDBHSKZRMH-SXWSKBOKSA-N
MW232.33 g/mol
LogP2.89
Rot. Bonds4

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

(NE)-N-[(2R)-2-[benzyl(ethyl)amino]cyclopentylidene]hydroxylamine (PubChem CID 98157295) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (NE)-N-[(2R)-2-[benzyl(ethyl)amino]cyclopentylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2R)-2-[benzyl(ethyl)amino]cyclopentylidene]hydroxylamine
PubChem CID98157295
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(NE)-N-[(2R)-2-[benzyl(ethyl)amino]cyclopentylidene]hydroxylamine
SMILESCCN(Cc1ccccc1)[C@@H]1CCC/C1=N\O
InChIInChI=1S/C14H20N2O/c1-2-16(11-12-7-4-3-5-8-12)14-10-6-9-13(14)15-17/h3-5,7-8,14,17H,2,6,9-11H2,1H3/b15-13+/t14-/m1/s1
InChIKeyOKFQZDBHSKZRMH-SXWSKBOKSA-N
XLogP2.89
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.89
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

(NZ)-N-[2-(dibenzylamino)cyclopentylidene]hydroxylamine
CID 6382875
(NE)-N-[(2R)-2-[benzyl(2-phenylethyl)amino]cyclopentylidene]hydroxylamine
CID 98157872
trans-(1S,2S)-2-[benzyl(ethyl)amino]cyclohexan-1-ol
CID 102731816
3-[benzyl(ethyl)amino]pyrrolidin-2-one
CID 23073394
N,N-dibenzylcyclobutanamine
CID 70822586
(NZ)-N-[3-[benzyl(3-methylbutyl)amino]cyclohexylidene]hydroxylamine
CID 166083350
3-[benzyl(ethyl)amino]cyclopentane-1-carbonitrile
CID 66607984
(1R)-N,N-dibenzyl-3-methylcyclohexan-1-amine
CID 150583379
(3S)-N-benzyl-N-ethylpyrrolidin-3-amine
CID 66569411
N-benzyl-N-ethylpyrrolidin-3-amine
CID 53410837
N-benzyl-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61231293
(1S,8aR)-8a-benzyl-6-(diethylamino)-5-methyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-ol
CID 68964431

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(2R)-2-[benzyl(ethyl)amino]cyclopentylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2R)-2-[benzyl(ethyl)amino]cyclopentylidene]hydroxylamine (CID 98157295) is (NE)-N-[(2R)-2-[benzyl(ethyl)amino]cyclopentylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2R)-2-[benzyl(ethyl)amino]cyclopentylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2R)-2-[benzyl(ethyl)amino]cyclopentylidene]hydroxylamine is CCN(Cc1ccccc1)[C@@H]1CCC/C1=N\O.
What is the InChIKey of (NE)-N-[(2R)-2-[benzyl(ethyl)amino]cyclopentylidene]hydroxylamine?
The InChIKey is OKFQZDBHSKZRMH-SXWSKBOKSA-N. The full InChI is InChI=1S/C14H20N2O/c1-2-16(11-12-7-4-3-5-8-12)14-10-6-9-13(14)15-17/h3-5,7-8,14,17H,2,6,9-11H2,1H3/b15-13+/t14-/m1/s1.
What are the key properties of (NE)-N-[(2R)-2-[benzyl(ethyl)amino]cyclopentylidene]hydroxylamine?
(NE)-N-[(2R)-2-[benzyl(ethyl)amino]cyclopentylidene]hydroxylamine has a molecular weight of 232.33 g/mol, XLogP of 2.89, 4 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(ethyl)amino]cyclopentylidene]hydroxylamine is sourced from PubChem (CID 98157295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).