(NZ)-N-[1-(3-methoxyphenyl)-4-methylpentan-3-ylidene]hydroxylamine

C13H19NO2 — CID 177423869

IUPAC(NZ)-N-[1-(3-methoxyphenyl)-4-methylpentan-3-ylidene]hydroxylamine
SMILESCOc1cccc(CC/C(=N/O)C(C)C)c1
InChIInChI=1S/C13H19NO2/c1-10(2)13(14-15)8-7-11-5-4-6-12(9-11)16-3/h4-6,9-10,15H,7-8H2,1-3H3/b14-13-
InChIKeyHTERSUBEVLEMCU-YPKPFQOOSA-N
MW221.30 g/mol
LogP3.11
Rot. Bonds5

About (NZ)-N-[1-(3-methoxyphenyl)-4-methylpentan-3-ylidene]hydroxylamine

(NZ)-N-[1-(3-methoxyphenyl)-4-methylpentan-3-ylidene]hydroxylamine (PubChem CID 177423869) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is (NZ)-N-[1-(3-methoxyphenyl)-4-methylpentan-3-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-(3-methoxyphenyl)-4-methylpentan-3-ylidene]hydroxylamine
PubChem CID177423869
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name(NZ)-N-[1-(3-methoxyphenyl)-4-methylpentan-3-ylidene]hydroxylamine
SMILESCOc1cccc(CC/C(=N/O)C(C)C)c1
InChIInChI=1S/C13H19NO2/c1-10(2)13(14-15)8-7-11-5-4-6-12(9-11)16-3/h4-6,9-10,15H,7-8H2,1-3H3/b14-13-
InChIKeyHTERSUBEVLEMCU-YPKPFQOOSA-N
XLogP3.11
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 53.11
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'}

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Related Compounds

N-[4-(3-methoxyphenyl)butan-2-ylidene]hydroxylamine
CID 71379556
ethane;1-(3-methoxyphenyl)-4-methylpentan-3-one
CID 142910057
propan-2-yl 3-(3-methoxyphenyl)propanoate
CID 14043098
1-methoxy-3-propylbenzene
CID 14270128
N'-hydroxy-2-(3-methoxyphenyl)ethanimidamide
CID 4601584
N'-hydroxy-2-(3-methoxyphenyl)ethanimidamide;hydrochloride
CID 57368856
4,6-bis[2-(3-methoxyphenyl)ethyl]benzene-1,2,3-triol
CID 172870856
4-(3-methoxyphenyl)-2-methylbutanal
CID 64664101
5-(3-methoxyphenyl)-2-oxopentanoic acid
CID 57090432
N-butan-2-yl-3-(3-methoxyphenyl)propanamide
CID 60707029
1-(2,6-dimethylphenyl)-3-(3-methoxyphenyl)propan-1-one
CID 24725838
(Z)-2-[2-(3-methoxyphenyl)ethyl]but-2-en-1-amine
CID 70986984

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-(3-methoxyphenyl)-4-methylpentan-3-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-(3-methoxyphenyl)-4-methylpentan-3-ylidene]hydroxylamine (CID 177423869) is (NZ)-N-[1-(3-methoxyphenyl)-4-methylpentan-3-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-(3-methoxyphenyl)-4-methylpentan-3-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-(3-methoxyphenyl)-4-methylpentan-3-ylidene]hydroxylamine is COc1cccc(CC/C(=N/O)C(C)C)c1.
What is the InChIKey of (NZ)-N-[1-(3-methoxyphenyl)-4-methylpentan-3-ylidene]hydroxylamine?
The InChIKey is HTERSUBEVLEMCU-YPKPFQOOSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10(2)13(14-15)8-7-11-5-4-6-12(9-11)16-3/h4-6,9-10,15H,7-8H2,1-3H3/b14-13-.
What are the key properties of (NZ)-N-[1-(3-methoxyphenyl)-4-methylpentan-3-ylidene]hydroxylamine?
(NZ)-N-[1-(3-methoxyphenyl)-4-methylpentan-3-ylidene]hydroxylamine has a molecular weight of 221.30 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-(3-methoxyphenyl)-4-methylpentan-3-ylidene]hydroxylamine is sourced from PubChem (CID 177423869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).