8-[[ethyl(2-methylpropyl)amino]methyl]quinolin-5-amine

C16H23N3 — CID 43375996

IUPAC8-[[ethyl(2-methylpropyl)amino]methyl]quinolin-5-amine
SMILESCCN(Cc1ccc(N)c2cccnc12)CC(C)C
InChIInChI=1S/C16H23N3/c1-4-19(10-12(2)3)11-13-7-8-15(17)14-6-5-9-18-16(13)14/h5-9,12H,4,10-11,17H2,1-3H3
InChIKeyALAYGPSDYDOKGQ-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.29
Rot. Bonds5

About 8-[[ethyl(2-methylpropyl)amino]methyl]quinolin-5-amine

8-[[ethyl(2-methylpropyl)amino]methyl]quinolin-5-amine (PubChem CID 43375996) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 8-[[ethyl(2-methylpropyl)amino]methyl]quinolin-5-amine.

Molecular Properties

Compound Name8-[[ethyl(2-methylpropyl)amino]methyl]quinolin-5-amine
PubChem CID43375996
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name8-[[ethyl(2-methylpropyl)amino]methyl]quinolin-5-amine
SMILESCCN(Cc1ccc(N)c2cccnc12)CC(C)C
InChIInChI=1S/C16H23N3/c1-4-19(10-12(2)3)11-13-7-8-15(17)14-6-5-9-18-16(13)14/h5-9,12H,4,10-11,17H2,1-3H3
InChIKeyALAYGPSDYDOKGQ-UHFFFAOYSA-N
XLogP3.29
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

8-[[butan-2-yl(ethyl)amino]methyl]quinolin-5-amine
CID 43376007
8-[(dibutylamino)methyl]quinolin-5-amine
CID 43375839
1-[(5-aminoquinolin-8-yl)methyl-methylamino]propan-2-ol
CID 62334736
8-[[1-methoxypropan-2-yl(methyl)amino]methyl]quinolin-5-amine
CID 61450348
8-[[methoxy(methyl)amino]methyl]quinolin-5-amine
CID 43627608
3-[(5-aminoquinolin-8-yl)methyl-methylamino]butanenitrile
CID 55174134
N-ethyl-N-[(2-hydrazinyl-3-pyridinyl)methyl]-2-methylpropan-1-amine
CID 62469591
8-[[benzyl(methyl)amino]methyl]quinolin-5-amine
CID 43375712
8-(propan-2-ylsulfinylmethyl)quinolin-5-amine
CID 61289256
8-N-ethyl-8-N-(2-methylbutyl)quinoline-5,8-diamine
CID 79477632
4-[(5-aminoquinolin-8-yl)methyl-methylamino]phenol
CID 107733762
8-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]quinolin-5-amine
CID 43375606

Frequently Asked Questions

What is the IUPAC name of 8-[[ethyl(2-methylpropyl)amino]methyl]quinolin-5-amine?
The IUPAC name of 8-[[ethyl(2-methylpropyl)amino]methyl]quinolin-5-amine (CID 43375996) is 8-[[ethyl(2-methylpropyl)amino]methyl]quinolin-5-amine.
What is the SMILES notation for 8-[[ethyl(2-methylpropyl)amino]methyl]quinolin-5-amine?
The canonical SMILES for 8-[[ethyl(2-methylpropyl)amino]methyl]quinolin-5-amine is CCN(Cc1ccc(N)c2cccnc12)CC(C)C.
What is the InChIKey of 8-[[ethyl(2-methylpropyl)amino]methyl]quinolin-5-amine?
The InChIKey is ALAYGPSDYDOKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-4-19(10-12(2)3)11-13-7-8-15(17)14-6-5-9-18-16(13)14/h5-9,12H,4,10-11,17H2,1-3H3.
What are the key properties of 8-[[ethyl(2-methylpropyl)amino]methyl]quinolin-5-amine?
8-[[ethyl(2-methylpropyl)amino]methyl]quinolin-5-amine has a molecular weight of 257.38 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[ethyl(2-methylpropyl)amino]methyl]quinolin-5-amine is sourced from PubChem (CID 43375996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).