2-(1-ethoxypropan-2-yloxy)-5,6,7,8-tetrahydroquinoline-3-carboximidamide

C15H23N3O2 — CID 103488627

IUPAC2-(1-ethoxypropan-2-yloxy)-5,6,7,8-tetrahydroquinoline-3-carboximidamide
SMILES[H]/N=C(\N)c1cc2c(nc1OC(C)COCC)CCCC2
InChIInChI=1S/C15H23N3O2/c1-3-19-9-10(2)20-15-12(14(16)17)8-11-6-4-5-7-13(11)18-15/h8,10H,3-7,9H2,1-2H3,(H3,16,17)
InChIKeyCFFUWADQHSGONQ-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.05
Rot. Bonds6

About 2-(1-ethoxypropan-2-yloxy)-5,6,7,8-tetrahydroquinoline-3-carboximidamide

2-(1-ethoxypropan-2-yloxy)-5,6,7,8-tetrahydroquinoline-3-carboximidamide (PubChem CID 103488627) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-(1-ethoxypropan-2-yloxy)-5,6,7,8-tetrahydroquinoline-3-carboximidamide.

Molecular Properties

Compound Name2-(1-ethoxypropan-2-yloxy)-5,6,7,8-tetrahydroquinoline-3-carboximidamide
PubChem CID103488627
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-(1-ethoxypropan-2-yloxy)-5,6,7,8-tetrahydroquinoline-3-carboximidamide
SMILES[H]/N=C(\N)c1cc2c(nc1OC(C)COCC)CCCC2
InChIInChI=1S/C15H23N3O2/c1-3-19-9-10(2)20-15-12(14(16)17)8-11-6-4-5-7-13(11)18-15/h8,10H,3-7,9H2,1-2H3,(H3,16,17)
InChIKeyCFFUWADQHSGONQ-UHFFFAOYSA-N
XLogP2.05
TPSA81.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

3,4,5,6,7,8-Hexahydro-2H-1-oxa-9-aza-anthracen-10-ylamine
CID 14372826
3-Quinolinecarboximidamide, 5,6,7,8-tetrahydro-2-methoxy-N-(4-methylphenyl)-
CID 3075008
3-Quinolinecarboximidamide, 5,6,7,8-tetrahydro-2-methoxy-N-(4-methoxyphenyl)-
CID 3075009
Propanimidamide, N-hydroxy-2-(2-quinolinyloxy)-
CID 9588670
2-(2-Methoxyethoxy)-5,6,7,8-tetrahydro-1,6-naphthyridine
CID 86820430
2-(2-tert-butylphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 56661483
N'-hydroxy-6-methyl-2-phenylmethoxypyridine-3-carboximidamide
CID 56666937
N-hydroxy-6-methyl-2-[(2-methylphenyl)methoxy]-N'-propylpyridine-3-carboximidamide
CID 56668573
N'-hydroxy-6-methyl-2-(3-propan-2-ylphenoxy)pyridine-3-carboximidamide
CID 56681981
2-[3-Fluoro-4-[(6-methyl-2-pyridinyl)oxy]phenyl]ethyl carbamimidate
CID 67952558
4-(3-Fluorophenyl)-2-(oxolan-3-yloxy)-3-pent-1-ynyl-5,6,7,8-tetrahydroquinoline
CID 123466842
1-[(2S)-5-(2,4-difluorophenyl)-2-(1-fluoroethoxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethenamine
CID 134396341

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxypropan-2-yloxy)-5,6,7,8-tetrahydroquinoline-3-carboximidamide?
The IUPAC name of 2-(1-ethoxypropan-2-yloxy)-5,6,7,8-tetrahydroquinoline-3-carboximidamide (CID 103488627) is 2-(1-ethoxypropan-2-yloxy)-5,6,7,8-tetrahydroquinoline-3-carboximidamide.
What is the SMILES notation for 2-(1-ethoxypropan-2-yloxy)-5,6,7,8-tetrahydroquinoline-3-carboximidamide?
The canonical SMILES for 2-(1-ethoxypropan-2-yloxy)-5,6,7,8-tetrahydroquinoline-3-carboximidamide is [H]/N=C(\N)c1cc2c(nc1OC(C)COCC)CCCC2.
What is the InChIKey of 2-(1-ethoxypropan-2-yloxy)-5,6,7,8-tetrahydroquinoline-3-carboximidamide?
The InChIKey is CFFUWADQHSGONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-3-19-9-10(2)20-15-12(14(16)17)8-11-6-4-5-7-13(11)18-15/h8,10H,3-7,9H2,1-2H3,(H3,16,17).
What are the key properties of 2-(1-ethoxypropan-2-yloxy)-5,6,7,8-tetrahydroquinoline-3-carboximidamide?
2-(1-ethoxypropan-2-yloxy)-5,6,7,8-tetrahydroquinoline-3-carboximidamide has a molecular weight of 277.37 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxypropan-2-yloxy)-5,6,7,8-tetrahydroquinoline-3-carboximidamide is sourced from PubChem (CID 103488627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).