cyclopentyl-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanimine

C16H22N2 — CID 55225246

IUPACcyclopentyl-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanimine
SMILES[H]/N=C(\C1CCCC1)N1CC(C)Cc2ccccc21
InChIInChI=1S/C16H22N2/c1-12-10-14-8-4-5-9-15(14)18(11-12)16(17)13-6-2-3-7-13/h4-5,8-9,12-13,17H,2-3,6-7,10-11H2,1H3/b17-16+
InChIKeyCKEBUSJRDKAKSZ-WUKNDPDISA-N
MW242.37 g/mol
LogP3.85
Rot. Bonds1

About cyclopentyl-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanimine

cyclopentyl-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanimine (PubChem CID 55225246) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is cyclopentyl-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanimine.

Molecular Properties

Compound Namecyclopentyl-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanimine
PubChem CID55225246
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Namecyclopentyl-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanimine
SMILES[H]/N=C(\C1CCCC1)N1CC(C)Cc2ccccc21
InChIInChI=1S/C16H22N2/c1-12-10-14-8-4-5-9-15(14)18(11-12)16(17)13-6-2-3-7-13/h4-5,8-9,12-13,17H,2-3,6-7,10-11H2,1H3/b17-16+
InChIKeyCKEBUSJRDKAKSZ-WUKNDPDISA-N
XLogP3.85
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-3-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide
CID 116508561
(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-piperidin-2-ylmethanone
CID 63522655
N',3-dimethyl-3,4-dihydro-2H-quinoline-1-carboximidamide
CID 63489252
N-tert-butyl-3-methyl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 110662911
3-methyl-N-phenyl-3,4-dihydro-2H-quinoline-1-carbothioamide
CID 115612180
4-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one
CID 78942007
2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)cycloheptane-1-carboxylic acid
CID 63530964
(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-(6-methylpiperidin-2-yl)methanone
CID 63526013
3-amino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 63466515
1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)but-2-yn-1-one
CID 166787570
(1-aminocyclobutyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 81169109
3-methyl-N-(2-methylpropyl)-3,4-dihydro-2H-quinoline-1-carbothioamide
CID 115612179

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanimine?
The IUPAC name of cyclopentyl-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanimine (CID 55225246) is cyclopentyl-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanimine.
What is the SMILES notation for cyclopentyl-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanimine?
The canonical SMILES for cyclopentyl-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanimine is [H]/N=C(\C1CCCC1)N1CC(C)Cc2ccccc21.
What is the InChIKey of cyclopentyl-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanimine?
The InChIKey is CKEBUSJRDKAKSZ-WUKNDPDISA-N. The full InChI is InChI=1S/C16H22N2/c1-12-10-14-8-4-5-9-15(14)18(11-12)16(17)13-6-2-3-7-13/h4-5,8-9,12-13,17H,2-3,6-7,10-11H2,1H3/b17-16+.
What are the key properties of cyclopentyl-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanimine?
cyclopentyl-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanimine has a molecular weight of 242.37 g/mol, XLogP of 3.85, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanimine is sourced from PubChem (CID 55225246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).