N-[(2-tert-butyl-6,7-dimethylquinolin-4-yl)methyl]butan-1-amine

C20H30N2 — CID 82448776

IUPACN-[(2-tert-butyl-6,7-dimethylquinolin-4-yl)methyl]butan-1-amine
SMILESCCCCNCc1cc(C(C)(C)C)nc2cc(C)c(C)cc12
InChIInChI=1S/C20H30N2/c1-7-8-9-21-13-16-12-19(20(4,5)6)22-18-11-15(3)14(2)10-17(16)18/h10-12,21H,7-9,13H2,1-6H3
InChIKeyPIWXIYDRSCUIRA-UHFFFAOYSA-N
MW298.47 g/mol
LogP5.04
Rot. Bonds5

About N-[(2-tert-butyl-6,7-dimethylquinolin-4-yl)methyl]butan-1-amine

N-[(2-tert-butyl-6,7-dimethylquinolin-4-yl)methyl]butan-1-amine (PubChem CID 82448776) has the molecular formula C20H30N2 and a molecular weight of 298.47 g/mol. Its IUPAC name is N-[(2-tert-butyl-6,7-dimethylquinolin-4-yl)methyl]butan-1-amine.

Molecular Properties

Compound NameN-[(2-tert-butyl-6,7-dimethylquinolin-4-yl)methyl]butan-1-amine
PubChem CID82448776
Molecular FormulaC20H30N2
Molecular Weight298.47 g/mol
Exact Mass298.24
IUPAC NameN-[(2-tert-butyl-6,7-dimethylquinolin-4-yl)methyl]butan-1-amine
SMILESCCCCNCc1cc(C(C)(C)C)nc2cc(C)c(C)cc12
InChIInChI=1S/C20H30N2/c1-7-8-9-21-13-16-12-19(20(4,5)6)22-18-11-15(3)14(2)10-17(16)18/h10-12,21H,7-9,13H2,1-6H3
InChIKeyPIWXIYDRSCUIRA-UHFFFAOYSA-N
XLogP5.04
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.47
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(2-tert-butyl-6,7-dimethylquinolin-4-yl)methyl]butan-1-amine with MolForge

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Related Compounds

3-tert-butyl-5-(butylaminomethyl)-1H-pyridazin-6-one
CID 82443430
N-[(6-bromo-2-methylquinolin-4-yl)methyl]butan-1-amine
CID 82449062
N-[(2-tert-butyl-8-methoxyquinolin-4-yl)methyl]propan-1-amine
CID 82449722
N-[(6-methoxy-2-methylquinolin-4-yl)methyl]butan-1-amine
CID 82449750
N-[(2-tert-butyl-5,7-dimethylquinolin-4-yl)methyl]-2-methoxyethanamine
CID 82448681
N-[(1,2,5-trimethylpyrrol-3-yl)methyl]butan-1-amine
CID 50850663
6-tert-butyl-4-(butylaminomethyl)-2-(2-methylpropyl)pyridazin-3-one
CID 82443653
N-[(2,4,5-trimethylphenyl)methyl]hexan-1-amine
CID 43220475
N-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methyl]butan-1-amine
CID 50850582
N-[[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]methyl]butan-1-amine
CID 82528542
1-(2-tert-butyl-6,8-dimethylquinolin-4-yl)-N-methylmethanamine
CID 82448573
N-[(5,7-dimethyl-2-propan-2-ylquinolin-4-yl)methyl]butan-1-amine
CID 82448645

Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butyl-6,7-dimethylquinolin-4-yl)methyl]butan-1-amine?
The IUPAC name of N-[(2-tert-butyl-6,7-dimethylquinolin-4-yl)methyl]butan-1-amine (CID 82448776) is N-[(2-tert-butyl-6,7-dimethylquinolin-4-yl)methyl]butan-1-amine.
What is the SMILES notation for N-[(2-tert-butyl-6,7-dimethylquinolin-4-yl)methyl]butan-1-amine?
The canonical SMILES for N-[(2-tert-butyl-6,7-dimethylquinolin-4-yl)methyl]butan-1-amine is CCCCNCc1cc(C(C)(C)C)nc2cc(C)c(C)cc12.
What is the InChIKey of N-[(2-tert-butyl-6,7-dimethylquinolin-4-yl)methyl]butan-1-amine?
The InChIKey is PIWXIYDRSCUIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2/c1-7-8-9-21-13-16-12-19(20(4,5)6)22-18-11-15(3)14(2)10-17(16)18/h10-12,21H,7-9,13H2,1-6H3.
What are the key properties of N-[(2-tert-butyl-6,7-dimethylquinolin-4-yl)methyl]butan-1-amine?
N-[(2-tert-butyl-6,7-dimethylquinolin-4-yl)methyl]butan-1-amine has a molecular weight of 298.47 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butyl-6,7-dimethylquinolin-4-yl)methyl]butan-1-amine is sourced from PubChem (CID 82448776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).