2-[2-ethoxyethyl(ethyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboximidamide

C16H26N4O — CID 63697557

IUPAC2-[2-ethoxyethyl(ethyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboximidamide
SMILES[H]/N=C(\N)c1cc2c(nc1N(CC)CCOCC)CCCC2
InChIInChI=1S/C16H26N4O/c1-3-20(9-10-21-4-2)16-13(15(17)18)11-12-7-5-6-8-14(12)19-16/h11H,3-10H2,1-2H3,(H3,17,18)
InChIKeyNJPICCGFBBPSDJ-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.11
Rot. Bonds7

About 2-[2-ethoxyethyl(ethyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboximidamide

2-[2-ethoxyethyl(ethyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboximidamide (PubChem CID 63697557) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[2-ethoxyethyl(ethyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboximidamide.

Molecular Properties

Compound Name2-[2-ethoxyethyl(ethyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboximidamide
PubChem CID63697557
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name2-[2-ethoxyethyl(ethyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboximidamide
SMILES[H]/N=C(\N)c1cc2c(nc1N(CC)CCOCC)CCCC2
InChIInChI=1S/C16H26N4O/c1-3-20(9-10-21-4-2)16-13(15(17)18)11-12-7-5-6-8-14(12)19-16/h11H,3-10H2,1-2H3,(H3,17,18)
InChIKeyNJPICCGFBBPSDJ-UHFFFAOYSA-N
XLogP2.11
TPSA75.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.11
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxyethyl(ethyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboximidamide?
The IUPAC name of 2-[2-ethoxyethyl(ethyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboximidamide (CID 63697557) is 2-[2-ethoxyethyl(ethyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboximidamide.
What is the SMILES notation for 2-[2-ethoxyethyl(ethyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboximidamide?
The canonical SMILES for 2-[2-ethoxyethyl(ethyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboximidamide is [H]/N=C(\N)c1cc2c(nc1N(CC)CCOCC)CCCC2.
What is the InChIKey of 2-[2-ethoxyethyl(ethyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboximidamide?
The InChIKey is NJPICCGFBBPSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-3-20(9-10-21-4-2)16-13(15(17)18)11-12-7-5-6-8-14(12)19-16/h11H,3-10H2,1-2H3,(H3,17,18).
What are the key properties of 2-[2-ethoxyethyl(ethyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboximidamide?
2-[2-ethoxyethyl(ethyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboximidamide has a molecular weight of 290.41 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxyethyl(ethyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboximidamide is sourced from PubChem (CID 63697557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).