N'-hydroxy-2,2-dimethyl-5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanimidamide

C17H27N3O — CID 77063046

IUPACN'-hydroxy-2,2-dimethyl-5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanimidamide
SMILESCc1ccc2c(c1)CCCN2CCCC(C)(C)C(N)=NO
InChIInChI=1S/C17H27N3O/c1-13-7-8-15-14(12-13)6-4-10-20(15)11-5-9-17(2,3)16(18)19-21/h7-8,12,21H,4-6,9-11H2,1-3H3,(H2,18,19)
InChIKeyJSRDAMRAMUEZQT-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.30
Rot. Bonds5

About N'-hydroxy-2,2-dimethyl-5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanimidamide

N'-hydroxy-2,2-dimethyl-5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanimidamide (PubChem CID 77063046) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanimidamide
PubChem CID77063046
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN'-hydroxy-2,2-dimethyl-5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanimidamide
SMILESCc1ccc2c(c1)CCCN2CCCC(C)(C)C(N)=NO
InChIInChI=1S/C17H27N3O/c1-13-7-8-15-14(12-13)6-4-10-20(15)11-5-9-17(2,3)16(18)19-21/h7-8,12,21H,4-6,9-11H2,1-3H3,(H2,18,19)
InChIKeyJSRDAMRAMUEZQT-UHFFFAOYSA-N
XLogP3.30
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-hydroxy-2,2-dimethyl-5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanimidamide 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-methyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-ol
CID 79317190
2,2-dimethyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoic acid
CID 65249302
3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanamide
CID 60698848
2-(ethylamino)-2-methyl-5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-ol
CID 64795808
6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)hexan-3-amine
CID 106799282
N-methyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-amine
CID 60840997
ethane;1-ethyl-6-methyl-3,4-dihydro-2H-quinoline
CID 143643901
N-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]propan-2-amine
CID 60841491
N-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]aniline
CID 60861432
2-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]prop-2-en-1-amine
CID 103069126
1-amino-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-2-ol
CID 24698210
2-methyl-2-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]pentan-1-amine
CID 62262306

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,2-dimethyl-5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanimidamide (CID 77063046) is N'-hydroxy-2,2-dimethyl-5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanimidamide is Cc1ccc2c(c1)CCCN2CCCC(C)(C)C(N)=NO.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanimidamide?
The InChIKey is JSRDAMRAMUEZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-13-7-8-15-14(12-13)6-4-10-20(15)11-5-9-17(2,3)16(18)19-21/h7-8,12,21H,4-6,9-11H2,1-3H3,(H2,18,19).
What are the key properties of N'-hydroxy-2,2-dimethyl-5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanimidamide?
N'-hydroxy-2,2-dimethyl-5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanimidamide has a molecular weight of 289.42 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,2-dimethyl-5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanimidamide is sourced from PubChem (CID 77063046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).