3-methyl-N-(7-methyloctyl)quinolin-2-amine

C19H28N2 — CID 107816294

IUPAC3-methyl-N-(7-methyloctyl)quinolin-2-amine
SMILESCc1cc2ccccc2nc1NCCCCCCC(C)C
InChIInChI=1S/C19H28N2/c1-15(2)10-6-4-5-9-13-20-19-16(3)14-17-11-7-8-12-18(17)21-19/h7-8,11-12,14-15H,4-6,9-10,13H2,1-3H3,(H,20,21)
InChIKeyHFLFOCTWTYUHOO-UHFFFAOYSA-N
MW284.45 g/mol
LogP5.56
Rot. Bonds8

About 3-methyl-N-(7-methyloctyl)quinolin-2-amine

3-methyl-N-(7-methyloctyl)quinolin-2-amine (PubChem CID 107816294) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is 3-methyl-N-(7-methyloctyl)quinolin-2-amine.

Molecular Properties

Compound Name3-methyl-N-(7-methyloctyl)quinolin-2-amine
PubChem CID107816294
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC Name3-methyl-N-(7-methyloctyl)quinolin-2-amine
SMILESCc1cc2ccccc2nc1NCCCCCCC(C)C
InChIInChI=1S/C19H28N2/c1-15(2)10-6-4-5-9-13-20-19-16(3)14-17-11-7-8-12-18(17)21-19/h7-8,11-12,14-15H,4-6,9-10,13H2,1-3H3,(H,20,21)
InChIKeyHFLFOCTWTYUHOO-UHFFFAOYSA-N
XLogP5.56
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.45
LogP ≤ 55.56
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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Related Compounds

N-(5-chloro-4-methylpentyl)-3-methylquinolin-2-amine
CID 106154673
3-methyl-N-(7-methyloctyl)quinoxalin-2-amine
CID 107816078
N-ethyl-N'-(3-methylquinolin-2-yl)propane-1,3-diamine
CID 63229477
N-methyl-3-[(3-methylquinolin-2-yl)amino]propanamide
CID 63228938
N-(7-methyloctyl)phthalazin-1-amine
CID 107816205
3-methyl-N-(2-methylsulfinylpropyl)quinolin-2-amine
CID 115764309
N-[2-(2-aminoethoxy)ethyl]-3-methylquinolin-2-amine
CID 63767208
N-(7-methyloctyl)-1,3-benzothiazol-2-amine
CID 103603190
1-N-(3-methylquinolin-2-yl)butane-1,2-diamine
CID 63730578
N,N-dimethyl-3-[(3-methylquinolin-2-yl)amino]propanamide
CID 55175937
3-ethyl-1-N-(3-methylquinolin-2-yl)pentane-1,2-diamine
CID 106287148
N-(7-methyloctyl)-1,3-benzoxazol-2-amine
CID 107816169

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(7-methyloctyl)quinolin-2-amine?
The IUPAC name of 3-methyl-N-(7-methyloctyl)quinolin-2-amine (CID 107816294) is 3-methyl-N-(7-methyloctyl)quinolin-2-amine.
What is the SMILES notation for 3-methyl-N-(7-methyloctyl)quinolin-2-amine?
The canonical SMILES for 3-methyl-N-(7-methyloctyl)quinolin-2-amine is Cc1cc2ccccc2nc1NCCCCCCC(C)C.
What is the InChIKey of 3-methyl-N-(7-methyloctyl)quinolin-2-amine?
The InChIKey is HFLFOCTWTYUHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2/c1-15(2)10-6-4-5-9-13-20-19-16(3)14-17-11-7-8-12-18(17)21-19/h7-8,11-12,14-15H,4-6,9-10,13H2,1-3H3,(H,20,21).
What are the key properties of 3-methyl-N-(7-methyloctyl)quinolin-2-amine?
3-methyl-N-(7-methyloctyl)quinolin-2-amine has a molecular weight of 284.45 g/mol, XLogP of 5.56, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(7-methyloctyl)quinolin-2-amine is sourced from PubChem (CID 107816294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).