(NZ)-N-[(2-heptoxyphenyl)methylidene]hydroxylamine

C14H21NO2 — CID 112720770

IUPAC(NZ)-N-[(2-heptoxyphenyl)methylidene]hydroxylamine
SMILESCCCCCCCOc1ccccc1/C=N\O
InChIInChI=1S/C14H21NO2/c1-2-3-4-5-8-11-17-14-10-7-6-9-13(14)12-15-16/h6-7,9-10,12,16H,2-5,8,11H2,1H3/b15-12-
InChIKeyZIAIEWWHOFJMLP-QINSGFPZSA-N
MW235.33 g/mol
LogP3.84
Rot. Bonds8

About (NZ)-N-[(2-heptoxyphenyl)methylidene]hydroxylamine

(NZ)-N-[(2-heptoxyphenyl)methylidene]hydroxylamine (PubChem CID 112720770) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (NZ)-N-[(2-heptoxyphenyl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(2-heptoxyphenyl)methylidene]hydroxylamine
PubChem CID112720770
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name(NZ)-N-[(2-heptoxyphenyl)methylidene]hydroxylamine
SMILESCCCCCCCOc1ccccc1/C=N\O
InChIInChI=1S/C14H21NO2/c1-2-3-4-5-8-11-17-14-10-7-6-9-13(14)12-15-16/h6-7,9-10,12,16H,2-5,8,11H2,1H3/b15-12-
InChIKeyZIAIEWWHOFJMLP-QINSGFPZSA-N
XLogP3.84
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[(E)-(2-pentoxyphenyl)methylideneamino]methanamine
CID 110338518
(NE)-N-[(5-chloro-2-hexoxyphenyl)methylidene]hydroxylamine
CID 42184829
1-ethenyl-2-heptadecoxybenzene
CID 139672731
N-[(2-pentoxyphenyl)methylideneamino]benzamide
CID 5219776
2-tridecoxyphenol
CID 67178320
N-[(2-heptylphenyl)methylidene]hydroxylamine
CID 160567988
N-[[2-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 20991908
1-methyl-3-[(E)-(2-pentoxyphenyl)methylideneamino]thiourea
CID 110338496
N-[(2-prop-2-enoxyphenyl)methylidene]hydroxylamine
CID 659181
benzene-1,2-diol;2-hexoxyphenol
CID 70150520
N-[[2-[2-(3,5-dimethylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 22680848
3-(2-undecoxyphenyl)prop-2-enoic acid
CID 139730297

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(2-heptoxyphenyl)methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(2-heptoxyphenyl)methylidene]hydroxylamine (CID 112720770) is (NZ)-N-[(2-heptoxyphenyl)methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(2-heptoxyphenyl)methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(2-heptoxyphenyl)methylidene]hydroxylamine is CCCCCCCOc1ccccc1/C=N\O.
What is the InChIKey of (NZ)-N-[(2-heptoxyphenyl)methylidene]hydroxylamine?
The InChIKey is ZIAIEWWHOFJMLP-QINSGFPZSA-N. The full InChI is InChI=1S/C14H21NO2/c1-2-3-4-5-8-11-17-14-10-7-6-9-13(14)12-15-16/h6-7,9-10,12,16H,2-5,8,11H2,1H3/b15-12-.
What are the key properties of (NZ)-N-[(2-heptoxyphenyl)methylidene]hydroxylamine?
(NZ)-N-[(2-heptoxyphenyl)methylidene]hydroxylamine has a molecular weight of 235.33 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(2-heptoxyphenyl)methylidene]hydroxylamine is sourced from PubChem (CID 112720770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).