3-methyl-N-propyl-1-quinolin-5-yloxybutan-2-amine

C17H24N2O — CID 103044506

IUPAC3-methyl-N-propyl-1-quinolin-5-yloxybutan-2-amine
SMILESCCCNC(COc1cccc2ncccc12)C(C)C
InChIInChI=1S/C17H24N2O/c1-4-10-18-16(13(2)3)12-20-17-9-5-8-15-14(17)7-6-11-19-15/h5-9,11,13,16,18H,4,10,12H2,1-3H3
InChIKeyBVWPGYVPHBAVBR-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.64
Rot. Bonds7

About 3-methyl-N-propyl-1-quinolin-5-yloxybutan-2-amine

3-methyl-N-propyl-1-quinolin-5-yloxybutan-2-amine (PubChem CID 103044506) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 3-methyl-N-propyl-1-quinolin-5-yloxybutan-2-amine.

Molecular Properties

Compound Name3-methyl-N-propyl-1-quinolin-5-yloxybutan-2-amine
PubChem CID103044506
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name3-methyl-N-propyl-1-quinolin-5-yloxybutan-2-amine
SMILESCCCNC(COc1cccc2ncccc12)C(C)C
InChIInChI=1S/C17H24N2O/c1-4-10-18-16(13(2)3)12-20-17-9-5-8-15-14(17)7-6-11-19-15/h5-9,11,13,16,18H,4,10,12H2,1-3H3
InChIKeyBVWPGYVPHBAVBR-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

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Related Compounds

N-propyl-1-quinolin-5-yloxypentan-2-amine
CID 103044496
N-ethyl-3-methyl-1-quinolin-5-yloxypentan-2-amine
CID 103044542
N,3-dimethyl-1-quinolin-5-yloxypentan-2-amine
CID 103044444
N-propyl-3-quinolin-5-yloxybutan-2-amine
CID 103044558
N-(2-quinolin-5-yloxyethyl)pentan-3-amine
CID 103045833
N,2-dimethyl-3-quinolin-5-yloxypropan-1-amine
CID 103045300
5-(3-bromo-2-methylpropoxy)quinoline
CID 103044584
2-(propylamino)-4-quinolin-5-yloxybutanamide
CID 103045604
2,2-dimethyl-N-propyl-3-quinolin-5-yloxypropan-1-amine
CID 103045759
3-(methylamino)-4-quinolin-5-yloxybutan-1-ol
CID 103044503
3-methyl-N-(2-quinolin-5-yloxyethyl)butan-1-amine
CID 103045848
N-propyl-1-quinolin-5-ylhexan-3-amine
CID 81221861

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propyl-1-quinolin-5-yloxybutan-2-amine?
The IUPAC name of 3-methyl-N-propyl-1-quinolin-5-yloxybutan-2-amine (CID 103044506) is 3-methyl-N-propyl-1-quinolin-5-yloxybutan-2-amine.
What is the SMILES notation for 3-methyl-N-propyl-1-quinolin-5-yloxybutan-2-amine?
The canonical SMILES for 3-methyl-N-propyl-1-quinolin-5-yloxybutan-2-amine is CCCNC(COc1cccc2ncccc12)C(C)C.
What is the InChIKey of 3-methyl-N-propyl-1-quinolin-5-yloxybutan-2-amine?
The InChIKey is BVWPGYVPHBAVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-4-10-18-16(13(2)3)12-20-17-9-5-8-15-14(17)7-6-11-19-15/h5-9,11,13,16,18H,4,10,12H2,1-3H3.
What are the key properties of 3-methyl-N-propyl-1-quinolin-5-yloxybutan-2-amine?
3-methyl-N-propyl-1-quinolin-5-yloxybutan-2-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 3-methyl-N-propyl-1-quinolin-5-yloxybutan-2-amine is sourced from PubChem (CID 103044506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).