1-(2-methylquinolin-4-yl)octan-1-amine

C18H26N2 — CID 105124901

IUPAC1-(2-methylquinolin-4-yl)octan-1-amine
SMILESCCCCCCCC(N)c1cc(C)nc2ccccc12
InChIInChI=1S/C18H26N2/c1-3-4-5-6-7-11-17(19)16-13-14(2)20-18-12-9-8-10-15(16)18/h8-10,12-13,17H,3-7,11,19H2,1-2H3
InChIKeyUAIVAWQXAUYXQG-UHFFFAOYSA-N
MW270.42 g/mol
LogP4.90
Rot. Bonds7

About 1-(2-methylquinolin-4-yl)octan-1-amine

1-(2-methylquinolin-4-yl)octan-1-amine (PubChem CID 105124901) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 1-(2-methylquinolin-4-yl)octan-1-amine.

Molecular Properties

Compound Name1-(2-methylquinolin-4-yl)octan-1-amine
PubChem CID105124901
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name1-(2-methylquinolin-4-yl)octan-1-amine
SMILESCCCCCCCC(N)c1cc(C)nc2ccccc12
InChIInChI=1S/C18H26N2/c1-3-4-5-6-7-11-17(19)16-13-14(2)20-18-12-9-8-10-15(16)18/h8-10,12-13,17H,3-7,11,19H2,1-2H3
InChIKeyUAIVAWQXAUYXQG-UHFFFAOYSA-N
XLogP4.90
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 54.90
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

1-(2-methylquinolin-4-yl)pentan-1-ol
CID 79235698
(1S)-1-quinolin-4-ylhexan-1-amine
CID 171236624
1-(2-methylquinolin-4-yl)-2-phenylethanamine
CID 105084872
(1S)-1-quinolin-4-ylhexan-1-amine;hydrochloride
CID 171236625
ethyl 3-amino-3-(2-methylquinolin-4-yl)propanoate
CID 79237557
(3S)-3-amino-3-(2-methylquinolin-4-yl)propanamide
CID 79237707
4-hexyl-2-methylquinoline
CID 12861362
(1R)-1-naphthalen-1-ylhexan-1-amine
CID 171212033
1-isoquinolin-4-ylnonan-1-amine
CID 115856304
N-methyl-1-(2-methylquinolin-4-yl)butan-1-amine
CID 105080240
2-(3-methylphenyl)-1-(2-methylquinolin-4-yl)ethanamine
CID 105091263
2-(2-bromophenyl)-1-(2-methylquinolin-4-yl)ethanamine
CID 105087602

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylquinolin-4-yl)octan-1-amine?
The IUPAC name of 1-(2-methylquinolin-4-yl)octan-1-amine (CID 105124901) is 1-(2-methylquinolin-4-yl)octan-1-amine.
What is the SMILES notation for 1-(2-methylquinolin-4-yl)octan-1-amine?
The canonical SMILES for 1-(2-methylquinolin-4-yl)octan-1-amine is CCCCCCCC(N)c1cc(C)nc2ccccc12.
What is the InChIKey of 1-(2-methylquinolin-4-yl)octan-1-amine?
The InChIKey is UAIVAWQXAUYXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-3-4-5-6-7-11-17(19)16-13-14(2)20-18-12-9-8-10-15(16)18/h8-10,12-13,17H,3-7,11,19H2,1-2H3.
What are the key properties of 1-(2-methylquinolin-4-yl)octan-1-amine?
1-(2-methylquinolin-4-yl)octan-1-amine has a molecular weight of 270.42 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylquinolin-4-yl)octan-1-amine is sourced from PubChem (CID 105124901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).