N-[(5,7-dimethyl-2-propan-2-ylquinolin-4-yl)methyl]butan-1-amine

C19H28N2 — CID 82448645

IUPACN-[(5,7-dimethyl-2-propan-2-ylquinolin-4-yl)methyl]butan-1-amine
SMILESCCCCNCc1cc(C(C)C)nc2cc(C)cc(C)c12
InChIInChI=1S/C19H28N2/c1-6-7-8-20-12-16-11-17(13(2)3)21-18-10-14(4)9-15(5)19(16)18/h9-11,13,20H,6-8,12H2,1-5H3
InChIKeyFURDKLGTWKNDCF-UHFFFAOYSA-N
MW284.45 g/mol
LogP4.86
Rot. Bonds6

About N-[(5,7-dimethyl-2-propan-2-ylquinolin-4-yl)methyl]butan-1-amine

N-[(5,7-dimethyl-2-propan-2-ylquinolin-4-yl)methyl]butan-1-amine (PubChem CID 82448645) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is N-[(5,7-dimethyl-2-propan-2-ylquinolin-4-yl)methyl]butan-1-amine.

Molecular Properties

Compound NameN-[(5,7-dimethyl-2-propan-2-ylquinolin-4-yl)methyl]butan-1-amine
PubChem CID82448645
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC NameN-[(5,7-dimethyl-2-propan-2-ylquinolin-4-yl)methyl]butan-1-amine
SMILESCCCCNCc1cc(C(C)C)nc2cc(C)cc(C)c12
InChIInChI=1S/C19H28N2/c1-6-7-8-20-12-16-11-17(13(2)3)21-18-10-14(4)9-15(5)19(16)18/h9-11,13,20H,6-8,12H2,1-5H3
InChIKeyFURDKLGTWKNDCF-UHFFFAOYSA-N
XLogP4.86
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-[(5,7-dimethyl-2-propan-2-ylquinolin-4-yl)methyl]butan-1-amine?
The IUPAC name of N-[(5,7-dimethyl-2-propan-2-ylquinolin-4-yl)methyl]butan-1-amine (CID 82448645) is N-[(5,7-dimethyl-2-propan-2-ylquinolin-4-yl)methyl]butan-1-amine.
What is the SMILES notation for N-[(5,7-dimethyl-2-propan-2-ylquinolin-4-yl)methyl]butan-1-amine?
The canonical SMILES for N-[(5,7-dimethyl-2-propan-2-ylquinolin-4-yl)methyl]butan-1-amine is CCCCNCc1cc(C(C)C)nc2cc(C)cc(C)c12.
What is the InChIKey of N-[(5,7-dimethyl-2-propan-2-ylquinolin-4-yl)methyl]butan-1-amine?
The InChIKey is FURDKLGTWKNDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2/c1-6-7-8-20-12-16-11-17(13(2)3)21-18-10-14(4)9-15(5)19(16)18/h9-11,13,20H,6-8,12H2,1-5H3.
What are the key properties of N-[(5,7-dimethyl-2-propan-2-ylquinolin-4-yl)methyl]butan-1-amine?
N-[(5,7-dimethyl-2-propan-2-ylquinolin-4-yl)methyl]butan-1-amine has a molecular weight of 284.45 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,7-dimethyl-2-propan-2-ylquinolin-4-yl)methyl]butan-1-amine is sourced from PubChem (CID 82448645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).