8-N-ethyl-8-N-(2-methylbutyl)quinoline-5,8-diamine

C16H23N3 — CID 79477632

IUPAC8-N-ethyl-8-N-(2-methylbutyl)quinoline-5,8-diamine
SMILESCCC(C)CN(CC)c1ccc(N)c2cccnc12
InChIInChI=1S/C16H23N3/c1-4-12(3)11-19(5-2)15-9-8-14(17)13-7-6-10-18-16(13)15/h6-10,12H,4-5,11,17H2,1-3H3
InChIKeyBIKWUBVNHJWLDL-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.69
Rot. Bonds5

About 8-N-ethyl-8-N-(2-methylbutyl)quinoline-5,8-diamine

8-N-ethyl-8-N-(2-methylbutyl)quinoline-5,8-diamine (PubChem CID 79477632) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 8-N-ethyl-8-N-(2-methylbutyl)quinoline-5,8-diamine.

Molecular Properties

Compound Name8-N-ethyl-8-N-(2-methylbutyl)quinoline-5,8-diamine
PubChem CID79477632
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name8-N-ethyl-8-N-(2-methylbutyl)quinoline-5,8-diamine
SMILESCCC(C)CN(CC)c1ccc(N)c2cccnc12
InChIInChI=1S/C16H23N3/c1-4-12(3)11-19(5-2)15-9-8-14(17)13-7-6-10-18-16(13)15/h6-10,12H,4-5,11,17H2,1-3H3
InChIKeyBIKWUBVNHJWLDL-UHFFFAOYSA-N
XLogP3.69
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-N-ethyl-8-N-(2-methylbutyl)quinoline-5,8-diamine?
The IUPAC name of 8-N-ethyl-8-N-(2-methylbutyl)quinoline-5,8-diamine (CID 79477632) is 8-N-ethyl-8-N-(2-methylbutyl)quinoline-5,8-diamine.
What is the SMILES notation for 8-N-ethyl-8-N-(2-methylbutyl)quinoline-5,8-diamine?
The canonical SMILES for 8-N-ethyl-8-N-(2-methylbutyl)quinoline-5,8-diamine is CCC(C)CN(CC)c1ccc(N)c2cccnc12.
What is the InChIKey of 8-N-ethyl-8-N-(2-methylbutyl)quinoline-5,8-diamine?
The InChIKey is BIKWUBVNHJWLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-4-12(3)11-19(5-2)15-9-8-14(17)13-7-6-10-18-16(13)15/h6-10,12H,4-5,11,17H2,1-3H3.
What are the key properties of 8-N-ethyl-8-N-(2-methylbutyl)quinoline-5,8-diamine?
8-N-ethyl-8-N-(2-methylbutyl)quinoline-5,8-diamine has a molecular weight of 257.38 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-ethyl-8-N-(2-methylbutyl)quinoline-5,8-diamine is sourced from PubChem (CID 79477632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).