(NZ)-N-[1-[2-(azonan-1-yl)-5-chlorophenyl]ethylidene]hydroxylamine

C16H23ClN2O — CID 129363342

IUPAC(NZ)-N-[1-[2-(azonan-1-yl)-5-chlorophenyl]ethylidene]hydroxylamine
SMILESC/C(=N/O)c1cc(Cl)ccc1N1CCCCCCCC1
InChIInChI=1S/C16H23ClN2O/c1-13(18-20)15-12-14(17)8-9-16(15)19-10-6-4-2-3-5-7-11-19/h8-9,12,20H,2-7,10-11H2,1H3/b18-13-
InChIKeyQTCWYUJTOAOZBJ-AQTBWJFISA-N
MW294.83 g/mol
LogP4.70
Rot. Bonds2

About (NZ)-N-[1-[2-(azonan-1-yl)-5-chlorophenyl]ethylidene]hydroxylamine

(NZ)-N-[1-[2-(azonan-1-yl)-5-chlorophenyl]ethylidene]hydroxylamine (PubChem CID 129363342) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is (NZ)-N-[1-[2-(azonan-1-yl)-5-chlorophenyl]ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-[2-(azonan-1-yl)-5-chlorophenyl]ethylidene]hydroxylamine
PubChem CID129363342
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name(NZ)-N-[1-[2-(azonan-1-yl)-5-chlorophenyl]ethylidene]hydroxylamine
SMILESC/C(=N/O)c1cc(Cl)ccc1N1CCCCCCCC1
InChIInChI=1S/C16H23ClN2O/c1-13(18-20)15-12-14(17)8-9-16(15)19-10-6-4-2-3-5-7-11-19/h8-9,12,20H,2-7,10-11H2,1H3/b18-13-
InChIKeyQTCWYUJTOAOZBJ-AQTBWJFISA-N
XLogP4.70
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 54.70
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

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2-(azetidin-1-yl)-5-chlorobenzoic acid
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CID 107404762
1-(4-chloro-2-iodophenyl)azepane
CID 107641046
5-chloro-2-(3,3-dimethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide
CID 77016603
(NE)-N-[1-(4-chloro-2-methylphenyl)ethylidene]hydroxylamine
CID 22256023
2-(azepan-1-yl)-4-chloroaniline
CID 79688976
5-chloro-2-(4-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide
CID 76944687
4-chloro-N-methyl-2-[(Z)-C-methyl-N-piperidin-1-ylcarbonimidoyl]aniline
CID 91415552
5-chloro-2-(4-methylpiperazin-1-yl)benzoic acid
CID 12784710
2-(azocan-1-yl)-4-chlorobenzenecarbothioamide
CID 63082355

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-[2-(azonan-1-yl)-5-chlorophenyl]ethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-[2-(azonan-1-yl)-5-chlorophenyl]ethylidene]hydroxylamine (CID 129363342) is (NZ)-N-[1-[2-(azonan-1-yl)-5-chlorophenyl]ethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-[2-(azonan-1-yl)-5-chlorophenyl]ethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-[2-(azonan-1-yl)-5-chlorophenyl]ethylidene]hydroxylamine is C/C(=N/O)c1cc(Cl)ccc1N1CCCCCCCC1.
What is the InChIKey of (NZ)-N-[1-[2-(azonan-1-yl)-5-chlorophenyl]ethylidene]hydroxylamine?
The InChIKey is QTCWYUJTOAOZBJ-AQTBWJFISA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-13(18-20)15-12-14(17)8-9-16(15)19-10-6-4-2-3-5-7-11-19/h8-9,12,20H,2-7,10-11H2,1H3/b18-13-.
What are the key properties of (NZ)-N-[1-[2-(azonan-1-yl)-5-chlorophenyl]ethylidene]hydroxylamine?
(NZ)-N-[1-[2-(azonan-1-yl)-5-chlorophenyl]ethylidene]hydroxylamine has a molecular weight of 294.83 g/mol, XLogP of 4.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-[2-(azonan-1-yl)-5-chlorophenyl]ethylidene]hydroxylamine is sourced from PubChem (CID 129363342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).