1-[1-(4-amino-2-methylquinolin-1-ium-1-yl)decyl]-2-methylquinolin-1-ium-4-amine

C30H40N4+2 — CID 89414912

IUPAC1-[1-(4-amino-2-methylquinolin-1-ium-1-yl)decyl]-2-methylquinolin-1-ium-4-amine
SMILESCCCCCCCCCC([n+]1c(C)cc(N)c2ccccc21)[n+]1c(C)cc(N)c2ccccc21
InChIInChI=1S/C30H38N4/c1-4-5-6-7-8-9-10-19-30(33-22(2)20-26(31)24-15-11-13-17-28(24)33)34-23(3)21-27(32)25-16-12-14-18-29(25)34/h11-18,20-21,30-32H,4-10,19H2,1-3H3/p+2
InChIKeyPGMIZVWNWMQEBD-UHFFFAOYSA-P
MW456.68 g/mol
LogP6.54
Rot. Bonds10

About 1-[1-(4-amino-2-methylquinolin-1-ium-1-yl)decyl]-2-methylquinolin-1-ium-4-amine

1-[1-(4-amino-2-methylquinolin-1-ium-1-yl)decyl]-2-methylquinolin-1-ium-4-amine (PubChem CID 89414912) has the molecular formula C30H40N4+2 and a molecular weight of 456.68 g/mol. Its IUPAC name is 1-[1-(4-amino-2-methylquinolin-1-ium-1-yl)decyl]-2-methylquinolin-1-ium-4-amine.

Molecular Properties

Compound Name1-[1-(4-amino-2-methylquinolin-1-ium-1-yl)decyl]-2-methylquinolin-1-ium-4-amine
PubChem CID89414912
Molecular FormulaC30H40N4+2
Molecular Weight456.68 g/mol
Exact Mass456.32
IUPAC Name1-[1-(4-amino-2-methylquinolin-1-ium-1-yl)decyl]-2-methylquinolin-1-ium-4-amine
SMILESCCCCCCCCCC([n+]1c(C)cc(N)c2ccccc21)[n+]1c(C)cc(N)c2ccccc21
InChIInChI=1S/C30H38N4/c1-4-5-6-7-8-9-10-19-30(33-22(2)20-26(31)24-15-11-13-17-28(24)33)34-23(3)21-27(32)25-16-12-14-18-29(25)34/h11-18,20-21,30-32H,4-10,19H2,1-3H3/p+2
InChIKeyPGMIZVWNWMQEBD-UHFFFAOYSA-P
XLogP6.54
TPSA59.80 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.68
LogP ≤ 56.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1-[1-(4-amino-2-methylquinolin-1-ium-1-yl)decyl]-2-methylquinolin-1-ium-4-amine with MolForge

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Launch Full Analysis

Related Compounds

1-[10-(4-amino-2-methylquinolin-1-ium-1-yl)decyl]-2-methylquinolin-1-ium-4-amine
CID 2993
3-methyl-2-nonan-2-yl-1-oxido-4-phenylmethoxyquinolin-1-ium
CID 11292256
1-(2-methylphenyl)nonan-1-amine
CID 63412316
(1S)-1-(4-methylnaphthalen-1-yl)hexan-1-amine
CID 171228529
1-(2-methylquinolin-4-yl)octan-1-amine
CID 105124901
(1R)-1-naphthalen-1-ylhexan-1-amine
CID 171212033
1-[8-(4-aminoquinolin-1-ium-1-yl)-1,8-diiodooctyl]quinolin-1-ium-4-amine
CID 89421231
(1R)-1-(4-methylnaphthalen-1-yl)hexan-1-amine;hydrochloride
CID 171208944
2-icosan-9-ylaniline
CID 22408958
2-undecylnaphthalene-1,4-diamine
CID 151031394
(1R)-1-(1H-indol-3-yl)hexan-1-amine;hydrochloride
CID 171197968
1-phenyldecan-1-amine
CID 43175860

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-amino-2-methylquinolin-1-ium-1-yl)decyl]-2-methylquinolin-1-ium-4-amine?
The IUPAC name of 1-[1-(4-amino-2-methylquinolin-1-ium-1-yl)decyl]-2-methylquinolin-1-ium-4-amine (CID 89414912) is 1-[1-(4-amino-2-methylquinolin-1-ium-1-yl)decyl]-2-methylquinolin-1-ium-4-amine.
What is the SMILES notation for 1-[1-(4-amino-2-methylquinolin-1-ium-1-yl)decyl]-2-methylquinolin-1-ium-4-amine?
The canonical SMILES for 1-[1-(4-amino-2-methylquinolin-1-ium-1-yl)decyl]-2-methylquinolin-1-ium-4-amine is CCCCCCCCCC([n+]1c(C)cc(N)c2ccccc21)[n+]1c(C)cc(N)c2ccccc21.
What is the InChIKey of 1-[1-(4-amino-2-methylquinolin-1-ium-1-yl)decyl]-2-methylquinolin-1-ium-4-amine?
The InChIKey is PGMIZVWNWMQEBD-UHFFFAOYSA-P. The full InChI is InChI=1S/C30H38N4/c1-4-5-6-7-8-9-10-19-30(33-22(2)20-26(31)24-15-11-13-17-28(24)33)34-23(3)21-27(32)25-16-12-14-18-29(25)34/h11-18,20-21,30-32H,4-10,19H2,1-3H3/p+2.
What are the key properties of 1-[1-(4-amino-2-methylquinolin-1-ium-1-yl)decyl]-2-methylquinolin-1-ium-4-amine?
1-[1-(4-amino-2-methylquinolin-1-ium-1-yl)decyl]-2-methylquinolin-1-ium-4-amine has a molecular weight of 456.68 g/mol, XLogP of 6.54, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-amino-2-methylquinolin-1-ium-1-yl)decyl]-2-methylquinolin-1-ium-4-amine is sourced from PubChem (CID 89414912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).