(NZ)-N-[1-(2-ethylhexyl)-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine

C18H28N2O — CID 114337326

IUPAC(NZ)-N-[1-(2-ethylhexyl)-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine
SMILESCCCCC(CC)CN1CCC/C(=N/O)c2ccccc21
InChIInChI=1S/C18H28N2O/c1-3-5-9-15(4-2)14-20-13-8-11-17(19-21)16-10-6-7-12-18(16)20/h6-7,10,12,15,21H,3-5,8-9,11,13-14H2,1-2H3/b19-17-
InChIKeySGIUJAWTWNLWMT-ZPHPHTNESA-N
MW288.44 g/mol
LogP4.68
Rot. Bonds6

About (NZ)-N-[1-(2-ethylhexyl)-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine

(NZ)-N-[1-(2-ethylhexyl)-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine (PubChem CID 114337326) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is (NZ)-N-[1-(2-ethylhexyl)-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-(2-ethylhexyl)-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine
PubChem CID114337326
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name(NZ)-N-[1-(2-ethylhexyl)-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine
SMILESCCCCC(CC)CN1CCC/C(=N/O)c2ccccc21
InChIInChI=1S/C18H28N2O/c1-3-5-9-15(4-2)14-20-13-8-11-17(19-21)16-10-6-7-12-18(16)20/h6-7,10,12,15,21H,3-5,8-9,11,13-14H2,1-2H3/b19-17-
InChIKeySGIUJAWTWNLWMT-ZPHPHTNESA-N
XLogP4.68
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.68
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-butan-2-yl-2-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]acetamide
CID 114337162
5-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]pentanenitrile
CID 114337332
(NZ)-N-[1-(2-methoxyethyl)-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine
CID 114337205
N-ethyl-2-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]-N-methylacetamide
CID 114337176
N-tert-butyl-2-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]acetamide
CID 114337164
2-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]butanamide
CID 114337268
3-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]-N-propan-2-ylpropanamide
CID 114337171
(NZ)-N-[1-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine
CID 114337325
N-(cyanomethyl)-2-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]acetamide
CID 114337260
1-(3,4-dihydro-2H-quinolin-1-yl)-3-(2-ethylhexoxy)propan-2-ol
CID 143232672
N-[1-(3-methylbutyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine
CID 77033810
(NZ)-N-[1-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine
CID 114337229

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-(2-ethylhexyl)-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-(2-ethylhexyl)-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine (CID 114337326) is (NZ)-N-[1-(2-ethylhexyl)-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-(2-ethylhexyl)-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-(2-ethylhexyl)-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine is CCCCC(CC)CN1CCC/C(=N/O)c2ccccc21.
What is the InChIKey of (NZ)-N-[1-(2-ethylhexyl)-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine?
The InChIKey is SGIUJAWTWNLWMT-ZPHPHTNESA-N. The full InChI is InChI=1S/C18H28N2O/c1-3-5-9-15(4-2)14-20-13-8-11-17(19-21)16-10-6-7-12-18(16)20/h6-7,10,12,15,21H,3-5,8-9,11,13-14H2,1-2H3/b19-17-.
What are the key properties of (NZ)-N-[1-(2-ethylhexyl)-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine?
(NZ)-N-[1-(2-ethylhexyl)-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine has a molecular weight of 288.44 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-(2-ethylhexyl)-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine is sourced from PubChem (CID 114337326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).