3-(8-butoxy-2-methylquinolin-3-yl)propan-1-amine

C17H24N2O — CID 82247731

IUPAC3-(8-butoxy-2-methylquinolin-3-yl)propan-1-amine
SMILESCCCCOc1cccc2cc(CCCN)c(C)nc12
InChIInChI=1S/C17H24N2O/c1-3-4-11-20-16-9-5-7-15-12-14(8-6-10-18)13(2)19-17(15)16/h5,7,9,12H,3-4,6,8,10-11,18H2,1-2H3
InChIKeyDNPPUEHSCLAVAB-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.61
Rot. Bonds7

About 3-(8-butoxy-2-methylquinolin-3-yl)propan-1-amine

3-(8-butoxy-2-methylquinolin-3-yl)propan-1-amine (PubChem CID 82247731) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 3-(8-butoxy-2-methylquinolin-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(8-butoxy-2-methylquinolin-3-yl)propan-1-amine
PubChem CID82247731
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name3-(8-butoxy-2-methylquinolin-3-yl)propan-1-amine
SMILESCCCCOc1cccc2cc(CCCN)c(C)nc12
InChIInChI=1S/C17H24N2O/c1-3-4-11-20-16-9-5-7-15-12-14(8-6-10-18)13(2)19-17(15)16/h5,7,9,12H,3-4,6,8,10-11,18H2,1-2H3
InChIKeyDNPPUEHSCLAVAB-UHFFFAOYSA-N
XLogP3.61
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(6,8-dimethoxy-2-methylquinolin-3-yl)propan-1-amine
CID 82245934
3-(2-butoxynaphthalen-1-yl)propan-1-amine
CID 170867884
8-ethoxy-3-propylquinolin-2-amine
CID 63232751
3-(7-ethoxynaphthalen-1-yl)propan-1-amine
CID 19085994
[6-(2-butoxyphenyl)-2-methyl-3-pyridinyl]methanamine
CID 82452931
2-(2-butoxyphenyl)ethanamine;hydrochloride
CID 3045706
N,3-diethyl-8-propoxyquinolin-2-amine
CID 63529540
ethyl 2-(8-methoxy-2-methylquinolin-3-yl)acetate
CID 171788302
1,3-dibutoxy-2-methylbenzene
CID 14475066
2-[(2-butyl-1,3-benzothiazol-4-yl)oxy]ethanamine
CID 82190296
1-butoxynaphthalene
CID 13262700
1-butoxy-6,7-difluoronaphthalene
CID 70812007

Frequently Asked Questions

What is the IUPAC name of 3-(8-butoxy-2-methylquinolin-3-yl)propan-1-amine?
The IUPAC name of 3-(8-butoxy-2-methylquinolin-3-yl)propan-1-amine (CID 82247731) is 3-(8-butoxy-2-methylquinolin-3-yl)propan-1-amine.
What is the SMILES notation for 3-(8-butoxy-2-methylquinolin-3-yl)propan-1-amine?
The canonical SMILES for 3-(8-butoxy-2-methylquinolin-3-yl)propan-1-amine is CCCCOc1cccc2cc(CCCN)c(C)nc12.
What is the InChIKey of 3-(8-butoxy-2-methylquinolin-3-yl)propan-1-amine?
The InChIKey is DNPPUEHSCLAVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-3-4-11-20-16-9-5-7-15-12-14(8-6-10-18)13(2)19-17(15)16/h5,7,9,12H,3-4,6,8,10-11,18H2,1-2H3.
What are the key properties of 3-(8-butoxy-2-methylquinolin-3-yl)propan-1-amine?
3-(8-butoxy-2-methylquinolin-3-yl)propan-1-amine has a molecular weight of 272.39 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-butoxy-2-methylquinolin-3-yl)propan-1-amine is sourced from PubChem (CID 82247731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).