2-[2-(2-methylpropoxy)ethoxy]-5,6,7,8-tetrahydroquinoline-3-carboximidamide

C16H25N3O2 — CID 106447803

IUPAC2-[2-(2-methylpropoxy)ethoxy]-5,6,7,8-tetrahydroquinoline-3-carboximidamide
SMILES[H]/N=C(\N)c1cc2c(nc1OCCOCC(C)C)CCCC2
InChIInChI=1S/C16H25N3O2/c1-11(2)10-20-7-8-21-16-13(15(17)18)9-12-5-3-4-6-14(12)19-16/h9,11H,3-8,10H2,1-2H3,(H3,17,18)
InChIKeyYDVZUJRMZMBLIB-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.30
Rot. Bonds7

About 2-[2-(2-methylpropoxy)ethoxy]-5,6,7,8-tetrahydroquinoline-3-carboximidamide

2-[2-(2-methylpropoxy)ethoxy]-5,6,7,8-tetrahydroquinoline-3-carboximidamide (PubChem CID 106447803) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 2-[2-(2-methylpropoxy)ethoxy]-5,6,7,8-tetrahydroquinoline-3-carboximidamide.

Molecular Properties

Compound Name2-[2-(2-methylpropoxy)ethoxy]-5,6,7,8-tetrahydroquinoline-3-carboximidamide
PubChem CID106447803
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name2-[2-(2-methylpropoxy)ethoxy]-5,6,7,8-tetrahydroquinoline-3-carboximidamide
SMILES[H]/N=C(\N)c1cc2c(nc1OCCOCC(C)C)CCCC2
InChIInChI=1S/C16H25N3O2/c1-11(2)10-20-7-8-21-16-13(15(17)18)9-12-5-3-4-6-14(12)19-16/h9,11H,3-8,10H2,1-2H3,(H3,17,18)
InChIKeyYDVZUJRMZMBLIB-UHFFFAOYSA-N
XLogP2.30
TPSA81.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(1-ethoxypropan-2-yloxy)-5,6,7,8-tetrahydroquinoline-3-carboximidamide
CID 103488627
2-(2-ethylhexoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
CID 63523815
2-(cyclopentylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
CID 66323708
2-(2-propoxyethoxy)-5,6,7,8-tetrahydroquinoline-3-carbothioamide
CID 63686758
N'-hydroxy-2-(2-methylpropoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
CID 76916525
2-[2-ethoxyethyl(ethyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboximidamide
CID 63697557
2-(2-propoxyethoxy)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 63685915
N'-hydroxy-2-propoxy-5,6,7,8-tetrahydroquinoline-3-carboximidamide
CID 76916958
3-methyl-2-[2-(2-methylpropoxy)ethoxy]benzenecarboximidamide
CID 107110765
2-(2-propoxyethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 63686253
2-(2-propan-2-yloxyethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 55107666
2-(2-fluoro-3-methylphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
CID 107658503

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylpropoxy)ethoxy]-5,6,7,8-tetrahydroquinoline-3-carboximidamide?
The IUPAC name of 2-[2-(2-methylpropoxy)ethoxy]-5,6,7,8-tetrahydroquinoline-3-carboximidamide (CID 106447803) is 2-[2-(2-methylpropoxy)ethoxy]-5,6,7,8-tetrahydroquinoline-3-carboximidamide.
What is the SMILES notation for 2-[2-(2-methylpropoxy)ethoxy]-5,6,7,8-tetrahydroquinoline-3-carboximidamide?
The canonical SMILES for 2-[2-(2-methylpropoxy)ethoxy]-5,6,7,8-tetrahydroquinoline-3-carboximidamide is [H]/N=C(\N)c1cc2c(nc1OCCOCC(C)C)CCCC2.
What is the InChIKey of 2-[2-(2-methylpropoxy)ethoxy]-5,6,7,8-tetrahydroquinoline-3-carboximidamide?
The InChIKey is YDVZUJRMZMBLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-11(2)10-20-7-8-21-16-13(15(17)18)9-12-5-3-4-6-14(12)19-16/h9,11H,3-8,10H2,1-2H3,(H3,17,18).
What are the key properties of 2-[2-(2-methylpropoxy)ethoxy]-5,6,7,8-tetrahydroquinoline-3-carboximidamide?
2-[2-(2-methylpropoxy)ethoxy]-5,6,7,8-tetrahydroquinoline-3-carboximidamide has a molecular weight of 291.40 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylpropoxy)ethoxy]-5,6,7,8-tetrahydroquinoline-3-carboximidamide is sourced from PubChem (CID 106447803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).