1-quinolin-2-yloctan-1-amine

C17H24N2 — CID 63222846

IUPAC1-quinolin-2-yloctan-1-amine
SMILESCCCCCCCC(N)c1ccc2ccccc2n1
InChIInChI=1S/C17H24N2/c1-2-3-4-5-6-10-15(18)17-13-12-14-9-7-8-11-16(14)19-17/h7-9,11-13,15H,2-6,10,18H2,1H3
InChIKeyZMGYRKIJUYWXIN-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.60
Rot. Bonds7

About 1-quinolin-2-yloctan-1-amine

1-quinolin-2-yloctan-1-amine (PubChem CID 63222846) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-quinolin-2-yloctan-1-amine.

Molecular Properties

Compound Name1-quinolin-2-yloctan-1-amine
PubChem CID63222846
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name1-quinolin-2-yloctan-1-amine
SMILESCCCCCCCC(N)c1ccc2ccccc2n1
InChIInChI=1S/C17H24N2/c1-2-3-4-5-6-10-15(18)17-13-12-14-9-7-8-11-16(14)19-17/h7-9,11-13,15H,2-6,10,18H2,1H3
InChIKeyZMGYRKIJUYWXIN-UHFFFAOYSA-N
XLogP4.60
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-quinolin-2-yloctan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-quinolin-2-ylbutane-1,4-diamine
CID 171216930
(1S)-1-quinolin-2-ylbutane-1,4-diamine
CID 171236567
1-quinoxalin-2-ylhexan-1-amine
CID 107357026
3-ethyl-1-quinolin-2-ylheptan-1-amine
CID 63222758
(1S)-1-quinolin-2-ylpropan-1-amine;hydrochloride
CID 171236572
(3S)-3-amino-3-quinolin-2-ylpropan-1-ol
CID 96860354
methyl 2-quinolin-2-ylhexanoate
CID 116645151
acridine;heptane
CID 158562494
(1S)-1-(6-methyl-2-pyridinyl)hexan-1-amine;hydrochloride
CID 171230282
3-methyl-1-quinolin-2-ylpentan-1-amine
CID 63222429
1-(2-methylquinolin-4-yl)octan-1-amine
CID 105124901
1-(2-propylnaphthalen-1-yl)hexadecan-1-amine;hydrochloride
CID 174059373

Frequently Asked Questions

What is the IUPAC name of 1-quinolin-2-yloctan-1-amine?
The IUPAC name of 1-quinolin-2-yloctan-1-amine (CID 63222846) is 1-quinolin-2-yloctan-1-amine.
What is the SMILES notation for 1-quinolin-2-yloctan-1-amine?
The canonical SMILES for 1-quinolin-2-yloctan-1-amine is CCCCCCCC(N)c1ccc2ccccc2n1.
What is the InChIKey of 1-quinolin-2-yloctan-1-amine?
The InChIKey is ZMGYRKIJUYWXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-2-3-4-5-6-10-15(18)17-13-12-14-9-7-8-11-16(14)19-17/h7-9,11-13,15H,2-6,10,18H2,1H3.
What are the key properties of 1-quinolin-2-yloctan-1-amine?
1-quinolin-2-yloctan-1-amine has a molecular weight of 256.39 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinolin-2-yloctan-1-amine is sourced from PubChem (CID 63222846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).