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

C17H27N3 — CID 106711929

IUPAC6-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethylhexanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCCN1CCCc2ccccc21
InChIInChI=1S/C17H27N3/c1-17(2,16(18)19)11-5-6-12-20-13-7-9-14-8-3-4-10-15(14)20/h3-4,8,10H,5-7,9,11-13H2,1-2H3,(H3,18,19)
InChIKeyQCEIAJBTOBYLEI-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.57
Rot. Bonds6

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

6-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethylhexanimidamide (PubChem CID 106711929) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 6-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethylhexanimidamide.

Molecular Properties

Compound Name6-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethylhexanimidamide
PubChem CID106711929
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name6-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethylhexanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCCN1CCCc2ccccc21
InChIInChI=1S/C17H27N3/c1-17(2,16(18)19)11-5-6-12-20-13-7-9-14-8-3-4-10-15(14)20/h3-4,8,10H,5-7,9,11-13H2,1-2H3,(H3,18,19)
InChIKeyQCEIAJBTOBYLEI-UHFFFAOYSA-N
XLogP3.57
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)hexanimidamide
CID 106711911
1-heptyl-3,4-dihydro-2H-quinoline
CID 154324891
2-amino-5-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpentan-1-ol
CID 64797597
6-(3,4-dihydro-2H-quinolin-1-yl)hexan-1-amine
CID 13472128
5-(3,4-dihydro-2H-quinolin-1-yl)pentan-1-ol
CID 13472126
4-(3,4-dihydro-2H-quinolin-1-yl)-2-methylbutan-2-ol
CID 79316472
8-(3,4-dihydro-2H-quinolin-1-yl)octan-1-amine
CID 13472131
2-amino-5-(3,4-dihydro-2H-quinolin-1-yl)-2-ethylpentan-1-ol
CID 106809115
4-(3,4-dihydro-2H-quinolin-1-yl)-N-methylbutan-1-amine
CID 60840995
6-(3,4-dihydro-2H-quinolin-1-yl)-N,N-dimethylhexan-1-amine
CID 13472124
8-(3,4-dihydro-2H-quinolin-1-yl)-N,N-dimethyloctan-1-amine
CID 13472133
1-(4-piperazin-1-ylbutyl)-3,4-dihydro-2H-quinoline
CID 28808284

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethylhexanimidamide?
The IUPAC name of 6-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethylhexanimidamide (CID 106711929) is 6-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethylhexanimidamide.
What is the SMILES notation for 6-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethylhexanimidamide?
The canonical SMILES for 6-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethylhexanimidamide is [H]/N=C(\N)C(C)(C)CCCCN1CCCc2ccccc21.
What is the InChIKey of 6-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethylhexanimidamide?
The InChIKey is QCEIAJBTOBYLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-17(2,16(18)19)11-5-6-12-20-13-7-9-14-8-3-4-10-15(14)20/h3-4,8,10H,5-7,9,11-13H2,1-2H3,(H3,18,19).
What are the key properties of 6-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethylhexanimidamide?
6-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethylhexanimidamide has a molecular weight of 273.42 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethylhexanimidamide is sourced from PubChem (CID 106711929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).