(NE)-N-[1-[4-(2-methylpropyl)phenyl]ethylidene]hydroxylamine

C12H17NO — CID 5488589

IUPAC(NE)-N-[1-[4-(2-methylpropyl)phenyl]ethylidene]hydroxylamine
SMILESC/C(=N\O)c1ccc(CC(C)C)cc1
InChIInChI=1S/C12H17NO/c1-9(2)8-11-4-6-12(7-5-11)10(3)13-14/h4-7,9,14H,8H2,1-3H3/b13-10+
InChIKeyZDTCBWAOFBMOPN-JLHYYAGUSA-N
MW191.27 g/mol
LogP3.08
Rot. Bonds3

About (NE)-N-[1-[4-(2-methylpropyl)phenyl]ethylidene]hydroxylamine

(NE)-N-[1-[4-(2-methylpropyl)phenyl]ethylidene]hydroxylamine (PubChem CID 5488589) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (NE)-N-[1-[4-(2-methylpropyl)phenyl]ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-[4-(2-methylpropyl)phenyl]ethylidene]hydroxylamine
PubChem CID5488589
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(NE)-N-[1-[4-(2-methylpropyl)phenyl]ethylidene]hydroxylamine
SMILESC/C(=N\O)c1ccc(CC(C)C)cc1
InChIInChI=1S/C12H17NO/c1-9(2)8-11-4-6-12(7-5-11)10(3)13-14/h4-7,9,14H,8H2,1-3H3/b13-10+
InChIKeyZDTCBWAOFBMOPN-JLHYYAGUSA-N
XLogP3.08
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 53.08
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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Related Compounds

N'-hydroxy-4-(2-methylpropyl)benzenecarboximidamide
CID 96670524
1-(2-methylpropyl)-4-prop-1-en-2-ylbenzene
CID 10176333
ethane;1-(2-methylpropyl)-4-prop-1-en-2-ylbenzene
CID 144516269
1-[4-(2-methylpropyl)phenyl]-3,3-bis(methylsulfanyl)prop-2-en-1-one
CID 53434068
4-[4-(2-methylpropyl)phenyl]pent-3-en-2-ol
CID 54082921
2-methylpropylbenzene;1-[4-(2-methylpropyl)phenyl]ethanone
CID 23168110
4-[2-methyl-3-[4-(2-methylpropyl)phenyl]propyl]phenol
CID 166697370
(2S)-N'-hydroxy-2-[4-(2-methylpropyl)phenyl]propanimidamide
CID 173066412
(NZ)-N-[1-[4-(azidomethyl)phenyl]ethylidene]hydroxylamine
CID 59667984
(2R)-N'-hydroxy-2-[4-(2-methylpropyl)phenyl]propanimidamide
CID 173066411
(NZ)-N-[1-(4-iodophenyl)ethylidene]hydroxylamine
CID 11470978
1-[4-[4-(2-methylpropyl)phenyl]sulfanylphenyl]ethanone
CID 57238038

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-[4-(2-methylpropyl)phenyl]ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-[4-(2-methylpropyl)phenyl]ethylidene]hydroxylamine (CID 5488589) is (NE)-N-[1-[4-(2-methylpropyl)phenyl]ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-[4-(2-methylpropyl)phenyl]ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-[4-(2-methylpropyl)phenyl]ethylidene]hydroxylamine is C/C(=N\O)c1ccc(CC(C)C)cc1.
What is the InChIKey of (NE)-N-[1-[4-(2-methylpropyl)phenyl]ethylidene]hydroxylamine?
The InChIKey is ZDTCBWAOFBMOPN-JLHYYAGUSA-N. The full InChI is InChI=1S/C12H17NO/c1-9(2)8-11-4-6-12(7-5-11)10(3)13-14/h4-7,9,14H,8H2,1-3H3/b13-10+.
What are the key properties of (NE)-N-[1-[4-(2-methylpropyl)phenyl]ethylidene]hydroxylamine?
(NE)-N-[1-[4-(2-methylpropyl)phenyl]ethylidene]hydroxylamine has a molecular weight of 191.27 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-[4-(2-methylpropyl)phenyl]ethylidene]hydroxylamine is sourced from PubChem (CID 5488589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).