3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanimidamide

C15H23N3 — CID 43174989

IUPAC3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanimidamide
SMILES[H]/N=C(\N)CC(CC)N1CCCc2cc(C)ccc21
InChIInChI=1S/C15H23N3/c1-3-13(10-15(16)17)18-8-4-5-12-9-11(2)6-7-14(12)18/h6-7,9,13H,3-5,8,10H2,1-2H3,(H3,16,17)
InChIKeyGBHOZRGEBPABAJ-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.85
Rot. Bonds4

About 3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanimidamide

3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanimidamide (PubChem CID 43174989) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanimidamide.

Molecular Properties

Compound Name3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanimidamide
PubChem CID43174989
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanimidamide
SMILES[H]/N=C(\N)CC(CC)N1CCCc2cc(C)ccc21
InChIInChI=1S/C15H23N3/c1-3-13(10-15(16)17)18-8-4-5-12-9-11(2)6-7-14(12)18/h6-7,9,13H,3-5,8,10H2,1-2H3,(H3,16,17)
InChIKeyGBHOZRGEBPABAJ-UHFFFAOYSA-N
XLogP2.85
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'-hydroxy-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanimidamide
CID 54945506
3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanethioamide
CID 54945043
2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoic acid
CID 43808966
ethyl 2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoate
CID 64661866
3-amino-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoic acid
CID 64692920
6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)hexan-3-amine
CID 106799282
3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanamide
CID 60698848
2-ethyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 112762126
N'-hydroxy-2-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)butanimidamide
CID 76926455
3-(3,4-dihydroxypyrrolidin-1-yl)pentanimidamide
CID 106669793
ethane;1-ethyl-6-methyl-3,4-dihydro-2H-quinoline
CID 143643901
6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboximidamide
CID 64594554

Frequently Asked Questions

What is the IUPAC name of 3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanimidamide?
The IUPAC name of 3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanimidamide (CID 43174989) is 3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanimidamide.
What is the SMILES notation for 3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanimidamide?
The canonical SMILES for 3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanimidamide is [H]/N=C(\N)CC(CC)N1CCCc2cc(C)ccc21.
What is the InChIKey of 3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanimidamide?
The InChIKey is GBHOZRGEBPABAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-3-13(10-15(16)17)18-8-4-5-12-9-11(2)6-7-14(12)18/h6-7,9,13H,3-5,8,10H2,1-2H3,(H3,16,17).
What are the key properties of 3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanimidamide?
3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanimidamide has a molecular weight of 245.37 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanimidamide is sourced from PubChem (CID 43174989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).