2-(hydroxyamino)-N'-[(2S)-1-(9-methyl-3,4,5,6-tetrahydro-1H-2-benzazocin-2-yl)propan-2-yl]ethanimidamide

C17H28N4O — CID 138651702

IUPAC2-(hydroxyamino)-N'-[(2S)-1-(9-methyl-3,4,5,6-tetrahydro-1H-2-benzazocin-2-yl)propan-2-yl]ethanimidamide
SMILESCc1ccc2c(c1)CN(C[C@H](C)/N=C(\N)CNO)CCCC2
InChIInChI=1S/C17H28N4O/c1-13-6-7-15-5-3-4-8-21(12-16(15)9-13)11-14(2)20-17(18)10-19-22/h6-7,9,14,19,22H,3-5,8,10-12H2,1-2H3,(H2,18,20)/t14-/m0/s1
InChIKeyAUXVXPXWCMGOJH-AWEZNQCLSA-N
MW304.44 g/mol
LogP1.86
Rot. Bonds5

About 2-(hydroxyamino)-N'-[(2S)-1-(9-methyl-3,4,5,6-tetrahydro-1H-2-benzazocin-2-yl)propan-2-yl]ethanimidamide

2-(hydroxyamino)-N'-[(2S)-1-(9-methyl-3,4,5,6-tetrahydro-1H-2-benzazocin-2-yl)propan-2-yl]ethanimidamide (PubChem CID 138651702) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 2-(hydroxyamino)-N'-[(2S)-1-(9-methyl-3,4,5,6-tetrahydro-1H-2-benzazocin-2-yl)propan-2-yl]ethanimidamide.

Molecular Properties

Compound Name2-(hydroxyamino)-N'-[(2S)-1-(9-methyl-3,4,5,6-tetrahydro-1H-2-benzazocin-2-yl)propan-2-yl]ethanimidamide
PubChem CID138651702
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name2-(hydroxyamino)-N'-[(2S)-1-(9-methyl-3,4,5,6-tetrahydro-1H-2-benzazocin-2-yl)propan-2-yl]ethanimidamide
SMILESCc1ccc2c(c1)CN(C[C@H](C)/N=C(\N)CNO)CCCC2
InChIInChI=1S/C17H28N4O/c1-13-6-7-15-5-3-4-8-21(12-16(15)9-13)11-14(2)20-17(18)10-19-22/h6-7,9,14,19,22H,3-5,8,10-12H2,1-2H3,(H2,18,20)/t14-/m0/s1
InChIKeyAUXVXPXWCMGOJH-AWEZNQCLSA-N
XLogP1.86
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(hydroxyamino)-N'-[(2S)-1-(9-methyl-3,4,5,6-tetrahydro-1H-2-benzazocin-2-yl)propan-2-yl]ethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(hydroxyamino)-N-[(2S)-1-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]acetamide
CID 138652155
2-(hydroxyamino)-N-[(2S)-1-(1,3,4,5,7,8,9,10-octahydrobenzo[h][2]benzazepin-2-yl)propan-2-yl]acetamide
CID 138652283
N-[(2S)-1-(8-tert-butyl-1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-yl]-2-(hydroxyamino)acetamide
CID 138651678
6-methyl-2-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline
CID 145125206
N'-(1-piperidin-1-ylpropan-2-yl)propanimidamide
CID 63177549
ethane;2-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 171523229
N'-(1-piperidin-1-ylpropan-2-yl)benzenecarboximidamide
CID 63177667
(2Z)-N-[(2S)-1-(9-tert-butyl-3,4,5,6-tetrahydro-1H-2-benzazocin-2-yl)propan-2-yl]-2-hydroxyiminoacetamide
CID 138653130
N'-hydroxy-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanimidamide
CID 54945506
2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
CID 82118360
methyl 2-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propanoate
CID 82582376
1,2-dichlorobenzene;6-methyl-1,2,3,4-tetrahydronaphthalene
CID 143596446

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxyamino)-N'-[(2S)-1-(9-methyl-3,4,5,6-tetrahydro-1H-2-benzazocin-2-yl)propan-2-yl]ethanimidamide?
The IUPAC name of 2-(hydroxyamino)-N'-[(2S)-1-(9-methyl-3,4,5,6-tetrahydro-1H-2-benzazocin-2-yl)propan-2-yl]ethanimidamide (CID 138651702) is 2-(hydroxyamino)-N'-[(2S)-1-(9-methyl-3,4,5,6-tetrahydro-1H-2-benzazocin-2-yl)propan-2-yl]ethanimidamide.
What is the SMILES notation for 2-(hydroxyamino)-N'-[(2S)-1-(9-methyl-3,4,5,6-tetrahydro-1H-2-benzazocin-2-yl)propan-2-yl]ethanimidamide?
The canonical SMILES for 2-(hydroxyamino)-N'-[(2S)-1-(9-methyl-3,4,5,6-tetrahydro-1H-2-benzazocin-2-yl)propan-2-yl]ethanimidamide is Cc1ccc2c(c1)CN(C[C@H](C)/N=C(\N)CNO)CCCC2.
What is the InChIKey of 2-(hydroxyamino)-N'-[(2S)-1-(9-methyl-3,4,5,6-tetrahydro-1H-2-benzazocin-2-yl)propan-2-yl]ethanimidamide?
The InChIKey is AUXVXPXWCMGOJH-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H28N4O/c1-13-6-7-15-5-3-4-8-21(12-16(15)9-13)11-14(2)20-17(18)10-19-22/h6-7,9,14,19,22H,3-5,8,10-12H2,1-2H3,(H2,18,20)/t14-/m0/s1.
What are the key properties of 2-(hydroxyamino)-N'-[(2S)-1-(9-methyl-3,4,5,6-tetrahydro-1H-2-benzazocin-2-yl)propan-2-yl]ethanimidamide?
2-(hydroxyamino)-N'-[(2S)-1-(9-methyl-3,4,5,6-tetrahydro-1H-2-benzazocin-2-yl)propan-2-yl]ethanimidamide has a molecular weight of 304.44 g/mol, XLogP of 1.86, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxyamino)-N'-[(2S)-1-(9-methyl-3,4,5,6-tetrahydro-1H-2-benzazocin-2-yl)propan-2-yl]ethanimidamide is sourced from PubChem (CID 138651702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).