5-N-pentyl-5-N-propan-2-ylquinoline-5,8-diamine

C17H25N3 — CID 63402856

IUPAC5-N-pentyl-5-N-propan-2-ylquinoline-5,8-diamine
SMILESCCCCCN(c1ccc(N)c2ncccc12)C(C)C
InChIInChI=1S/C17H25N3/c1-4-5-6-12-20(13(2)3)16-10-9-15(18)17-14(16)8-7-11-19-17/h7-11,13H,4-6,12,18H2,1-3H3
InChIKeyCXGALUMXZVAMIQ-UHFFFAOYSA-N
MW271.41 g/mol
LogP4.22
Rot. Bonds6

About 5-N-pentyl-5-N-propan-2-ylquinoline-5,8-diamine

5-N-pentyl-5-N-propan-2-ylquinoline-5,8-diamine (PubChem CID 63402856) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 5-N-pentyl-5-N-propan-2-ylquinoline-5,8-diamine.

Molecular Properties

Compound Name5-N-pentyl-5-N-propan-2-ylquinoline-5,8-diamine
PubChem CID63402856
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name5-N-pentyl-5-N-propan-2-ylquinoline-5,8-diamine
SMILESCCCCCN(c1ccc(N)c2ncccc12)C(C)C
InChIInChI=1S/C17H25N3/c1-4-5-6-12-20(13(2)3)16-10-9-15(18)17-14(16)8-7-11-19-17/h7-11,13H,4-6,12,18H2,1-3H3
InChIKeyCXGALUMXZVAMIQ-UHFFFAOYSA-N
XLogP4.22
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-N-pentyl-5-N-propan-2-ylquinoline-5,8-diamine?
The IUPAC name of 5-N-pentyl-5-N-propan-2-ylquinoline-5,8-diamine (CID 63402856) is 5-N-pentyl-5-N-propan-2-ylquinoline-5,8-diamine.
What is the SMILES notation for 5-N-pentyl-5-N-propan-2-ylquinoline-5,8-diamine?
The canonical SMILES for 5-N-pentyl-5-N-propan-2-ylquinoline-5,8-diamine is CCCCCN(c1ccc(N)c2ncccc12)C(C)C.
What is the InChIKey of 5-N-pentyl-5-N-propan-2-ylquinoline-5,8-diamine?
The InChIKey is CXGALUMXZVAMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-4-5-6-12-20(13(2)3)16-10-9-15(18)17-14(16)8-7-11-19-17/h7-11,13H,4-6,12,18H2,1-3H3.
What are the key properties of 5-N-pentyl-5-N-propan-2-ylquinoline-5,8-diamine?
5-N-pentyl-5-N-propan-2-ylquinoline-5,8-diamine has a molecular weight of 271.41 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-pentyl-5-N-propan-2-ylquinoline-5,8-diamine is sourced from PubChem (CID 63402856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).