(NE)-N-[(2E,6S)-2-benzylidene-6-methylcyclohexylidene]hydroxylamine

C14H17NO — CID 5410936

IUPAC(NE)-N-[(2E,6S)-2-benzylidene-6-methylcyclohexylidene]hydroxylamine
SMILESC[C@H]1CCCC(=C\c2ccccc2)/C1=N/O
InChIInChI=1S/C14H17NO/c1-11-6-5-9-13(14(11)15-16)10-12-7-3-2-4-8-12/h2-4,7-8,10-11,16H,5-6,9H2,1H3/b13-10+,15-14+/t11-/m0/s1
InChIKeySCVPFVRZISYFAS-PDTUNUPCSA-N
MW215.30 g/mol
LogP3.72
Rot. Bonds1

About (NE)-N-[(2E,6S)-2-benzylidene-6-methylcyclohexylidene]hydroxylamine

(NE)-N-[(2E,6S)-2-benzylidene-6-methylcyclohexylidene]hydroxylamine (PubChem CID 5410936) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is (NE)-N-[(2E,6S)-2-benzylidene-6-methylcyclohexylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2E,6S)-2-benzylidene-6-methylcyclohexylidene]hydroxylamine
PubChem CID5410936
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name(NE)-N-[(2E,6S)-2-benzylidene-6-methylcyclohexylidene]hydroxylamine
SMILESC[C@H]1CCCC(=C\c2ccccc2)/C1=N/O
InChIInChI=1S/C14H17NO/c1-11-6-5-9-13(14(11)15-16)10-12-7-3-2-4-8-12/h2-4,7-8,10-11,16H,5-6,9H2,1H3/b13-10+,15-14+/t11-/m0/s1
InChIKeySCVPFVRZISYFAS-PDTUNUPCSA-N
XLogP3.72
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (NE)-N-[(2E,6S)-2-benzylidene-6-methylcyclohexylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2E,6S)-2-benzylidene-6-methylcyclohexylidene]hydroxylamine (CID 5410936) is (NE)-N-[(2E,6S)-2-benzylidene-6-methylcyclohexylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2E,6S)-2-benzylidene-6-methylcyclohexylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2E,6S)-2-benzylidene-6-methylcyclohexylidene]hydroxylamine is C[C@H]1CCCC(=C\c2ccccc2)/C1=N/O.
What is the InChIKey of (NE)-N-[(2E,6S)-2-benzylidene-6-methylcyclohexylidene]hydroxylamine?
The InChIKey is SCVPFVRZISYFAS-PDTUNUPCSA-N. The full InChI is InChI=1S/C14H17NO/c1-11-6-5-9-13(14(11)15-16)10-12-7-3-2-4-8-12/h2-4,7-8,10-11,16H,5-6,9H2,1H3/b13-10+,15-14+/t11-/m0/s1.
What are the key properties of (NE)-N-[(2E,6S)-2-benzylidene-6-methylcyclohexylidene]hydroxylamine?
(NE)-N-[(2E,6S)-2-benzylidene-6-methylcyclohexylidene]hydroxylamine has a molecular weight of 215.30 g/mol, XLogP of 3.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2E,6S)-2-benzylidene-6-methylcyclohexylidene]hydroxylamine is sourced from PubChem (CID 5410936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).