2,2-dimethyl-N-propyl-3-quinolin-5-yloxypropan-1-amine

C17H24N2O — CID 103045759

IUPAC2,2-dimethyl-N-propyl-3-quinolin-5-yloxypropan-1-amine
SMILESCCCNCC(C)(C)COc1cccc2ncccc12
InChIInChI=1S/C17H24N2O/c1-4-10-18-12-17(2,3)13-20-16-9-5-8-15-14(16)7-6-11-19-15/h5-9,11,18H,4,10,12-13H2,1-3H3
InChIKeyWSTYYTPFSDPNGA-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.64
Rot. Bonds7

About 2,2-dimethyl-N-propyl-3-quinolin-5-yloxypropan-1-amine

2,2-dimethyl-N-propyl-3-quinolin-5-yloxypropan-1-amine (PubChem CID 103045759) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 2,2-dimethyl-N-propyl-3-quinolin-5-yloxypropan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-propyl-3-quinolin-5-yloxypropan-1-amine
PubChem CID103045759
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name2,2-dimethyl-N-propyl-3-quinolin-5-yloxypropan-1-amine
SMILESCCCNCC(C)(C)COc1cccc2ncccc12
InChIInChI=1S/C17H24N2O/c1-4-10-18-12-17(2,3)13-20-16-9-5-8-15-14(16)7-6-11-19-15/h5-9,11,18H,4,10,12-13H2,1-3H3
InChIKeyWSTYYTPFSDPNGA-UHFFFAOYSA-N
XLogP3.64
TPSA34.15 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 ≤ 53.64
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

2-methyl-1-(propylamino)-3-quinolin-5-yloxypropan-2-ol
CID 103044573
3-(2-methoxyphenoxy)-2,2-dimethyl-N-propylpropan-1-amine
CID 79628432
2-(ethylamino)-2-methyl-3-quinolin-5-yloxypropan-1-ol
CID 103046028
N-ethyl-2,2-dimethyl-3-naphthalen-1-yloxypropan-1-amine
CID 79626722
N-propyl-1-quinolin-5-yloxypentan-2-amine
CID 103044496
3-methyl-N-propyl-1-quinolin-5-yloxybutan-2-amine
CID 103044506
5-(3,3-dimethylbutoxy)quinoline
CID 59667943
N,2-dimethyl-2-quinolin-5-yloxypropan-1-amine
CID 103045718
2-methyl-1-(propylamino)-3-quinolin-8-yloxypropan-2-ol
CID 66335947
N-propyl-5-(quinolin-5-yloxymethyl)-1,3,4-thiadiazol-2-amine
CID 103045654
N-propyl-3-quinolin-5-yloxybutan-2-amine
CID 103044558
2-(propylamino)-1-quinolin-5-ylethanol
CID 81221210

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-propyl-3-quinolin-5-yloxypropan-1-amine?
The IUPAC name of 2,2-dimethyl-N-propyl-3-quinolin-5-yloxypropan-1-amine (CID 103045759) is 2,2-dimethyl-N-propyl-3-quinolin-5-yloxypropan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-propyl-3-quinolin-5-yloxypropan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-propyl-3-quinolin-5-yloxypropan-1-amine is CCCNCC(C)(C)COc1cccc2ncccc12.
What is the InChIKey of 2,2-dimethyl-N-propyl-3-quinolin-5-yloxypropan-1-amine?
The InChIKey is WSTYYTPFSDPNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-4-10-18-12-17(2,3)13-20-16-9-5-8-15-14(16)7-6-11-19-15/h5-9,11,18H,4,10,12-13H2,1-3H3.
What are the key properties of 2,2-dimethyl-N-propyl-3-quinolin-5-yloxypropan-1-amine?
2,2-dimethyl-N-propyl-3-quinolin-5-yloxypropan-1-amine has a molecular weight of 272.39 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-propyl-3-quinolin-5-yloxypropan-1-amine is sourced from PubChem (CID 103045759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).