8-N-(4-aminopentyl)-6-N-methylquinoline-6,8-diamine

C15H22N4 — CID 71565268

IUPAC8-N-(4-aminopentyl)-6-N-methylquinoline-6,8-diamine
SMILESCNc1cc(NCCCC(C)N)c2ncccc2c1
InChIInChI=1S/C15H22N4/c1-11(16)5-3-7-18-14-10-13(17-2)9-12-6-4-8-19-15(12)14/h4,6,8-11,17-18H,3,5,7,16H2,1-2H3
InChIKeyBDNJKGLTIKIVCX-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.82
Rot. Bonds6

About 8-N-(4-aminopentyl)-6-N-methylquinoline-6,8-diamine

8-N-(4-aminopentyl)-6-N-methylquinoline-6,8-diamine (PubChem CID 71565268) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 8-N-(4-aminopentyl)-6-N-methylquinoline-6,8-diamine.

Molecular Properties

Compound Name8-N-(4-aminopentyl)-6-N-methylquinoline-6,8-diamine
PubChem CID71565268
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name8-N-(4-aminopentyl)-6-N-methylquinoline-6,8-diamine
SMILESCNc1cc(NCCCC(C)N)c2ncccc2c1
InChIInChI=1S/C15H22N4/c1-11(16)5-3-7-18-14-10-13(17-2)9-12-6-4-8-19-15(12)14/h4,6,8-11,17-18H,3,5,7,16H2,1-2H3
InChIKeyBDNJKGLTIKIVCX-UHFFFAOYSA-N
XLogP2.82
TPSA62.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-N-(4-aminopentyl)-6-N-methylquinoline-6,8-diamine?
The IUPAC name of 8-N-(4-aminopentyl)-6-N-methylquinoline-6,8-diamine (CID 71565268) is 8-N-(4-aminopentyl)-6-N-methylquinoline-6,8-diamine.
What is the SMILES notation for 8-N-(4-aminopentyl)-6-N-methylquinoline-6,8-diamine?
The canonical SMILES for 8-N-(4-aminopentyl)-6-N-methylquinoline-6,8-diamine is CNc1cc(NCCCC(C)N)c2ncccc2c1.
What is the InChIKey of 8-N-(4-aminopentyl)-6-N-methylquinoline-6,8-diamine?
The InChIKey is BDNJKGLTIKIVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-11(16)5-3-7-18-14-10-13(17-2)9-12-6-4-8-19-15(12)14/h4,6,8-11,17-18H,3,5,7,16H2,1-2H3.
What are the key properties of 8-N-(4-aminopentyl)-6-N-methylquinoline-6,8-diamine?
8-N-(4-aminopentyl)-6-N-methylquinoline-6,8-diamine has a molecular weight of 258.37 g/mol, XLogP of 2.82, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-(4-aminopentyl)-6-N-methylquinoline-6,8-diamine is sourced from PubChem (CID 71565268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).