N-propyl-3-quinolin-5-yloxybutan-2-amine

C16H22N2O — CID 103044558

IUPACN-propyl-3-quinolin-5-yloxybutan-2-amine
SMILESCCCNC(C)C(C)Oc1cccc2ncccc12
InChIInChI=1S/C16H22N2O/c1-4-10-17-12(2)13(3)19-16-9-5-8-15-14(16)7-6-11-18-15/h5-9,11-13,17H,4,10H2,1-3H3
InChIKeyXODKSZTWYWCFNR-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.39
Rot. Bonds6

About N-propyl-3-quinolin-5-yloxybutan-2-amine

N-propyl-3-quinolin-5-yloxybutan-2-amine (PubChem CID 103044558) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is N-propyl-3-quinolin-5-yloxybutan-2-amine.

Molecular Properties

Compound NameN-propyl-3-quinolin-5-yloxybutan-2-amine
PubChem CID103044558
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC NameN-propyl-3-quinolin-5-yloxybutan-2-amine
SMILESCCCNC(C)C(C)Oc1cccc2ncccc12
InChIInChI=1S/C16H22N2O/c1-4-10-17-12(2)13(3)19-16-9-5-8-15-14(16)7-6-11-18-15/h5-9,11-13,17H,4,10H2,1-3H3
InChIKeyXODKSZTWYWCFNR-UHFFFAOYSA-N
XLogP3.39
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-propyl-1-quinolin-5-yloxybutan-2-amine
CID 103044506
N-propyl-1-quinolin-5-yloxypentan-2-amine
CID 103044496
N-(2-quinolin-5-yloxyethyl)pentan-3-amine
CID 103045833
N-(2-methylpropyl)-2-quinolin-5-yloxypentan-1-amine
CID 103045732
3-methoxy-N-propan-2-yl-2-quinolin-5-yloxypropan-1-amine
CID 103229133
2-(propylamino)-4-quinolin-5-yloxybutanamide
CID 103045604
3-amino-2-quinolin-5-yloxybutan-1-ol
CID 103044560
2,2-dimethyl-N-propyl-3-quinolin-5-yloxypropan-1-amine
CID 103045759
2-methyl-N-propyl-1-quinolin-5-ylprop-2-en-1-amine
CID 105163698
N-ethyl-3-methyl-1-quinolin-5-yloxypentan-2-amine
CID 103044542
(3R)-N-ethyl-3-quinolin-5-yloxy-3-thiophen-2-ylpropan-1-amine
CID 135178793
N-(2-quinolin-5-yloxypentyl)cyclopropanamine
CID 103045789

Frequently Asked Questions

What is the IUPAC name of N-propyl-3-quinolin-5-yloxybutan-2-amine?
The IUPAC name of N-propyl-3-quinolin-5-yloxybutan-2-amine (CID 103044558) is N-propyl-3-quinolin-5-yloxybutan-2-amine.
What is the SMILES notation for N-propyl-3-quinolin-5-yloxybutan-2-amine?
The canonical SMILES for N-propyl-3-quinolin-5-yloxybutan-2-amine is CCCNC(C)C(C)Oc1cccc2ncccc12.
What is the InChIKey of N-propyl-3-quinolin-5-yloxybutan-2-amine?
The InChIKey is XODKSZTWYWCFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-4-10-17-12(2)13(3)19-16-9-5-8-15-14(16)7-6-11-18-15/h5-9,11-13,17H,4,10H2,1-3H3.
What are the key properties of N-propyl-3-quinolin-5-yloxybutan-2-amine?
N-propyl-3-quinolin-5-yloxybutan-2-amine has a molecular weight of 258.37 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3-quinolin-5-yloxybutan-2-amine is sourced from PubChem (CID 103044558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).