N-propan-2-yl-5-quinolin-7-yloxypentan-1-amine

C17H24N2O — CID 107314998

IUPACN-propan-2-yl-5-quinolin-7-yloxypentan-1-amine
SMILESCC(C)NCCCCCOc1ccc2cccnc2c1
InChIInChI=1S/C17H24N2O/c1-14(2)18-10-4-3-5-12-20-16-9-8-15-7-6-11-19-17(15)13-16/h6-9,11,13-14,18H,3-5,10,12H2,1-2H3
InChIKeyYBBWYFBCLVTLOX-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.78
Rot. Bonds8

About N-propan-2-yl-5-quinolin-7-yloxypentan-1-amine

N-propan-2-yl-5-quinolin-7-yloxypentan-1-amine (PubChem CID 107314998) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-propan-2-yl-5-quinolin-7-yloxypentan-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-5-quinolin-7-yloxypentan-1-amine
PubChem CID107314998
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-propan-2-yl-5-quinolin-7-yloxypentan-1-amine
SMILESCC(C)NCCCCCOc1ccc2cccnc2c1
InChIInChI=1S/C17H24N2O/c1-14(2)18-10-4-3-5-12-20-16-9-8-15-7-6-11-19-17(15)13-16/h6-9,11,13-14,18H,3-5,10,12H2,1-2H3
InChIKeyYBBWYFBCLVTLOX-UHFFFAOYSA-N
XLogP3.78
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.78
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

6-quinolin-7-yloxyhexan-1-ol
CID 107705479
N-(4-quinolin-7-yloxybutyl)cyclopropanamine
CID 107314991
N-ethyl-6-quinolin-7-yloxyhexan-3-amine
CID 107313514
N-ethyl-2-quinolin-7-yloxyethanamine
CID 107313475
5-(3,4-dichlorophenoxy)-N-propan-2-ylpentan-1-amine
CID 62485763
3-quinolin-7-yloxypropane-1-thiol
CID 107315768
N-(3-quinolin-7-yloxypropyl)aniline
CID 107315213
4-(3,4-dichlorophenoxy)-N-propan-2-ylbutan-1-amine
CID 2298232
N-(2-quinolin-7-yloxyethyl)cyclohexanamine
CID 107315321
N',N'-dimethyl-N-(2-quinolin-7-yloxyethyl)ethane-1,2-diamine
CID 107315215
2-(methylamino)-4-quinolin-7-yloxybutan-1-ol
CID 107315572
N-methyl-2-quinolin-7-yloxypropan-1-amine
CID 107313762

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-5-quinolin-7-yloxypentan-1-amine?
The IUPAC name of N-propan-2-yl-5-quinolin-7-yloxypentan-1-amine (CID 107314998) is N-propan-2-yl-5-quinolin-7-yloxypentan-1-amine.
What is the SMILES notation for N-propan-2-yl-5-quinolin-7-yloxypentan-1-amine?
The canonical SMILES for N-propan-2-yl-5-quinolin-7-yloxypentan-1-amine is CC(C)NCCCCCOc1ccc2cccnc2c1.
What is the InChIKey of N-propan-2-yl-5-quinolin-7-yloxypentan-1-amine?
The InChIKey is YBBWYFBCLVTLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-14(2)18-10-4-3-5-12-20-16-9-8-15-7-6-11-19-17(15)13-16/h6-9,11,13-14,18H,3-5,10,12H2,1-2H3.
What are the key properties of N-propan-2-yl-5-quinolin-7-yloxypentan-1-amine?
N-propan-2-yl-5-quinolin-7-yloxypentan-1-amine has a molecular weight of 272.39 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-5-quinolin-7-yloxypentan-1-amine is sourced from PubChem (CID 107314998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).