5-ethoxy-1-quinolin-2-ylpentan-2-amine

C16H22N2O — CID 105159235

IUPAC5-ethoxy-1-quinolin-2-ylpentan-2-amine
SMILESCCOCCCC(N)Cc1ccc2ccccc2n1
InChIInChI=1S/C16H22N2O/c1-2-19-11-5-7-14(17)12-15-10-9-13-6-3-4-8-16(13)18-15/h3-4,6,8-10,14H,2,5,7,11-12,17H2,1H3
InChIKeyICDFUHPDKVVCTH-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.92
Rot. Bonds7

About 5-ethoxy-1-quinolin-2-ylpentan-2-amine

5-ethoxy-1-quinolin-2-ylpentan-2-amine (PubChem CID 105159235) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 5-ethoxy-1-quinolin-2-ylpentan-2-amine.

Molecular Properties

Compound Name5-ethoxy-1-quinolin-2-ylpentan-2-amine
PubChem CID105159235
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name5-ethoxy-1-quinolin-2-ylpentan-2-amine
SMILESCCOCCCC(N)Cc1ccc2ccccc2n1
InChIInChI=1S/C16H22N2O/c1-2-19-11-5-7-14(17)12-15-10-9-13-6-3-4-8-16(13)18-15/h3-4,6,8-10,14H,2,5,7,11-12,17H2,1H3
InChIKeyICDFUHPDKVVCTH-UHFFFAOYSA-N
XLogP2.92
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.92
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

N'-(1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine
CID 657093
9-(7-Aminoheptylamino)-1,2,3,4-tetrahydroacridine
CID 10662852
N-heptyl-1,2,3,4-tetrahydroacridin-9-amine hydrochloride
CID 3087102
N-(9-aminononyl)-1,2,3,4-tetrahydroacridin-9-amine dihydrochloride
CID 10521068
1-Propanol, 3-(9-acridinylamino)-
CID 150655
N1,N1-diethyl-N4-(2-phenyl-4-quinolyl)pentane-1,4-diamine
CID 498058
2-((1,2,3,4-Tetrahydroacridin-9-yl)amino)ethanol
CID 661266
N-Butyl-1,2,3,4-tetrahydro-9-acridinamine
CID 9423
4-Quinolinamine, N-(1-methylethyl)-2-phenyl-
CID 453043
Dimethyl[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octyl]amine dihydrochloride
CID 10498282
Dimethyl[9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonyl]amine dihydrochloride
CID 10571010
Dimethyl[7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptyl]amine trihydrochloride
CID 10617077

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1-quinolin-2-ylpentan-2-amine?
The IUPAC name of 5-ethoxy-1-quinolin-2-ylpentan-2-amine (CID 105159235) is 5-ethoxy-1-quinolin-2-ylpentan-2-amine.
What is the SMILES notation for 5-ethoxy-1-quinolin-2-ylpentan-2-amine?
The canonical SMILES for 5-ethoxy-1-quinolin-2-ylpentan-2-amine is CCOCCCC(N)Cc1ccc2ccccc2n1.
What is the InChIKey of 5-ethoxy-1-quinolin-2-ylpentan-2-amine?
The InChIKey is ICDFUHPDKVVCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-2-19-11-5-7-14(17)12-15-10-9-13-6-3-4-8-16(13)18-15/h3-4,6,8-10,14H,2,5,7,11-12,17H2,1H3.
What are the key properties of 5-ethoxy-1-quinolin-2-ylpentan-2-amine?
5-ethoxy-1-quinolin-2-ylpentan-2-amine has a molecular weight of 258.37 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1-quinolin-2-ylpentan-2-amine is sourced from PubChem (CID 105159235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).