N'-cyclopentyl-6-methyl-3,4-dihydro-2H-quinoline-1-carboximidamide

C16H23N3 — CID 62361606

IUPACN'-cyclopentyl-6-methyl-3,4-dihydro-2H-quinoline-1-carboximidamide
SMILESCc1ccc2c(c1)CCCN2/C(N)=N/C1CCCC1
InChIInChI=1S/C16H23N3/c1-12-8-9-15-13(11-12)5-4-10-19(15)16(17)18-14-6-2-3-7-14/h8-9,11,14H,2-7,10H2,1H3,(H2,17,18)
InChIKeyGJPKPJXQWFKRBF-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.00
Rot. Bonds1

About N'-cyclopentyl-6-methyl-3,4-dihydro-2H-quinoline-1-carboximidamide

N'-cyclopentyl-6-methyl-3,4-dihydro-2H-quinoline-1-carboximidamide (PubChem CID 62361606) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N'-cyclopentyl-6-methyl-3,4-dihydro-2H-quinoline-1-carboximidamide.

Molecular Properties

Compound NameN'-cyclopentyl-6-methyl-3,4-dihydro-2H-quinoline-1-carboximidamide
PubChem CID62361606
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN'-cyclopentyl-6-methyl-3,4-dihydro-2H-quinoline-1-carboximidamide
SMILESCc1ccc2c(c1)CCCN2/C(N)=N/C1CCCC1
InChIInChI=1S/C16H23N3/c1-12-8-9-15-13(11-12)5-4-10-19(15)16(17)18-14-6-2-3-7-14/h8-9,11,14H,2-7,10H2,1H3,(H2,17,18)
InChIKeyGJPKPJXQWFKRBF-UHFFFAOYSA-N
XLogP3.00
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.00
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

6-methyl-N'-propyl-3,4-dihydro-2H-quinoline-1-carboximidamide
CID 62359573
(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-pyrrolidin-1-ylmethanone
CID 115578642
2-amino-2-methyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 61264398
(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(3-methylpiperidin-1-yl)methanone
CID 115581852
N'-hydroxy-2-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)butanimidamide
CID 76926455
(1-aminocyclobutyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 81178918
3-methyl-1-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carbothioamide
CID 80591610
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 119685868
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 120784052
2-[3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 19591085
2-ethyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 112762126
1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-piperidin-2-ylpropan-1-one
CID 62211207

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-6-methyl-3,4-dihydro-2H-quinoline-1-carboximidamide?
The IUPAC name of N'-cyclopentyl-6-methyl-3,4-dihydro-2H-quinoline-1-carboximidamide (CID 62361606) is N'-cyclopentyl-6-methyl-3,4-dihydro-2H-quinoline-1-carboximidamide.
What is the SMILES notation for N'-cyclopentyl-6-methyl-3,4-dihydro-2H-quinoline-1-carboximidamide?
The canonical SMILES for N'-cyclopentyl-6-methyl-3,4-dihydro-2H-quinoline-1-carboximidamide is Cc1ccc2c(c1)CCCN2/C(N)=N/C1CCCC1.
What is the InChIKey of N'-cyclopentyl-6-methyl-3,4-dihydro-2H-quinoline-1-carboximidamide?
The InChIKey is GJPKPJXQWFKRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-12-8-9-15-13(11-12)5-4-10-19(15)16(17)18-14-6-2-3-7-14/h8-9,11,14H,2-7,10H2,1H3,(H2,17,18).
What are the key properties of N'-cyclopentyl-6-methyl-3,4-dihydro-2H-quinoline-1-carboximidamide?
N'-cyclopentyl-6-methyl-3,4-dihydro-2H-quinoline-1-carboximidamide has a molecular weight of 257.38 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-6-methyl-3,4-dihydro-2H-quinoline-1-carboximidamide is sourced from PubChem (CID 62361606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).